data_6k5r_residue ############################ # Computer software used # ############################ 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 6k5r _Structure_validation_residue.Date_analyzed 2019-08-02 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 ' 17' ' ' HIS . . . . . 0.404 ' NE2' ' HE3' ' A' ' 35' ' ' LYS . 79.9 m80 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.7 tt -105.4 123.43 59.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -90.81 107.23 19.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.289 0.566 . . . . 10.0 111.157 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -98.24 161.93 13.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.234 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.2 mttt -128.8 140.59 51.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 10.0 111.581 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 63.9 t -113.89 125.99 71.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.69 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.352 . . . . 10.0 110.897 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.76 158.4 52.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.753 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -75.64 -4.73 41.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.334 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -99.8 -30.31 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 10.0 109.928 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -14.96 5.35 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -61.79 137.43 58.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.181 0.515 . . . . 10.0 111.031 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -109.28 127.07 66.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.204 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 5.6 t -119.34 122.5 69.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.77 121.59 40.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.528 ' CD2' ' HG ' ' A' ' 43' ' ' LEU . 3.0 m-85 -103.28 116.32 32.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.371 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -97.05 98.19 9.86 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -134.37 172.61 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.74 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.3 mttt -101.08 160.88 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.896 -0.322 . . . . 10.0 110.513 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -65.81 -25.98 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -87.15 -11.64 49.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.293 0.568 . . . . 10.0 110.057 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.474 HG22 HG13 ' B' ' 202' ' ' ILE . 98.5 m -75.89 121.91 85.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.171 -0.922 . . . . 10.0 111.536 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 31.9 Cg_exo -58.64 141.14 97.32 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.924 2.416 . . . . 10.0 112.222 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -76.77 -6.33 51.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.87 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.634 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.51 -27.09 64.89 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 32' ' ' PHE . 8.5 tt -65.63 -47.01 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.609 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 41' ' ' SER . 51.7 mttt -67.59 -46.3 73.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.344 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.15 74.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.702 0.287 . . . . 10.0 111.606 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 t80 -69.49 -40.03 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.335 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.38 -38.73 90.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.946 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 72.9 mm-40 -62.1 -35.36 78.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.93 0.395 . . . . 10.0 110.662 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -73.76 -23.89 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.634 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.1 mm100 -81.49 -30.62 33.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 31.69 25.96 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.44 -0.8 . . . . 10.0 112.591 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 mt -135.91 171.39 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.915 0.388 . . . . 10.0 111.274 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.5 t -76.12 144.18 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.267 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.2 ttp -69.65 -10.74 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.214 0.531 . . . . 10.0 110.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -84.28 -9.82 58.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -88.58 -29.7 19.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 10.0 111.323 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 pt -105.36 167.82 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.379 . . . . 10.0 111.664 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -136.91 133.2 35.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.976 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -104.66 134.3 48.06 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -130.02 139.92 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 10.0 111.443 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -132.46 119.82 21.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.848 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 67.07 25.89 9.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.893 0.854 . . . . 10.0 109.741 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.5 2.46 90.62 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.372 -0.831 . . . . 10.0 112.64 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 60.9 mm-40 -114.5 140.34 25.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 122.767 -0.254 . . . . 10.0 110.452 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.7 Cg_exo -67.76 141.29 53.88 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.54 2.16 . . . . 10.0 111.93 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.92 142.83 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.783 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.12 170.29 8.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.812 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -84.76 21.11 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 10.0 111.281 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 p -129.42 15.17 6.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.129 0.49 . . . . 10.0 110.67 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -104.43 151.68 23.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.501 . . . . 10.0 111.912 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 159.21 73.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.581 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.84 -39.29 88.16 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.36 2.04 . . . . 10.0 112.07 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.87 -10.4 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -95.38 -31.67 13.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 10.0 110.301 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.97 6.5 48.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.267 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 57.8 43.45 21.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.298 0.571 . . . . 10.0 111.202 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.8 mtp -83.66 147.4 27.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.289 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.1 tm-20 -120.83 -177.48 3.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.711 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -68.03 144.07 55.27 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.119 -0.232 . . . . 10.0 110.579 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 10.9 mt-10 72.15 12.83 5.85 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.884 0.74 . . . . 10.0 111.535 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.42 123.75 21.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.5 m -94.8 136.95 34.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.126 0.489 . . . . 10.0 112.094 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.1 mt -112.3 136.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.186 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.16 137.37 32.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.769 0.319 . . . . 10.0 110.793 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.6 t -121.27 114.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -113.0 179.92 3.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.758 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.08 150.94 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.83 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.82 147.29 28.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -71.03 129.83 39.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 p -86.6 12.52 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.383 . . . . 10.0 111.581 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.0 -179.85 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 m -117.83 123.86 46.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.436 0.636 . . . . 10.0 111.534 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.09 130.21 51.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.19 -0.914 . . . . 10.0 109.773 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.75 130.93 8.49 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.658 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 124.11 47.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 117.57 0.685 . . . . 10.0 110.089 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.463 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 12.5 mt -124.61 130.15 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.477 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.57 128.58 76.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.474 HG13 HG22 ' A' ' 38' ' ' THR . 6.5 pt . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.04 0.448 . . . . 10.0 109.879 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.054 0.454 . . . . 10.0 110.592 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 tt -94.79 137.69 22.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.403 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -110.14 103.85 12.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.902 0.382 . . . . 10.0 110.637 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.92 155.28 19.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.638 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -116.56 113.67 23.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -100.23 106.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.53 132.43 52.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.57 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.9 168.07 29.93 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -74.86 -12.72 60.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.031 0.443 . . . . 10.0 111.04 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.26 -30.59 38.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.581 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.89 -10.5 7.47 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.737 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -78.56 136.52 37.55 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.812 0.306 . . . . 10.0 110.26 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.19 129.29 74.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.064 0.459 . . . . 10.0 110.233 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 120.04 61.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.562 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -76.57 123.91 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' B' ' 200' ' ' ILE . 0.7 OUTLIER -102.08 107.01 17.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 -178.102 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -87.85 99.76 12.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.989 -1.115 . . . . 10.0 107.989 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.21 166.49 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.656 -179.181 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 34' ' ' ILE . 48.2 mttt -99.08 156.8 16.75 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -64.52 -20.59 66.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.577 0.227 . . . . 10.0 111.475 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -91.99 -6.85 50.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.092 0.473 . . . . 10.0 110.598 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 42.4 m -79.39 123.74 84.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.259 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 31.8 Cg_exo -59.73 150.97 73.8 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.998 2.465 . . . . 10.0 113.019 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.99 -3.14 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.271 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 p -60.7 -48.48 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 110.276 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -28.24 67.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.213 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.488 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 3.6 tt -64.61 -42.77 95.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.383 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.2 mtm -76.92 -24.0 52.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.699 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -92.09 -41.05 10.71 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.026 0.441 . . . . 10.0 111.339 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -65.53 -35.21 80.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.446 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.41 -40.12 93.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.971 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.43 -28.27 68.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.946 0.403 . . . . 10.0 110.555 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -70.27 -44.18 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.73 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.5 -22.63 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.792 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.69 51.15 5.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.478 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -136.32 179.64 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.98 145.5 25.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.4 ttp -63.26 -19.81 64.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.786 0.327 . . . . 10.0 111.553 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -88.03 -3.43 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.836 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -93.46 -24.05 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 10.0 110.666 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 pt -116.95 157.75 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -128.83 142.91 50.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.512 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -115.36 142.58 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.463 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -131.54 147.16 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.074 0.464 . . . . 10.0 111.455 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 70.1 t80 -145.41 120.8 10.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.323 -0.853 . . . . 10.0 108.94 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 63.14 24.21 14.3 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.626 0.727 . . . . 10.0 110.337 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.1 -3.47 87.06 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.656 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -106.18 152.01 40.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.18 152.51 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.353 2.035 . . . . 10.0 111.419 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.07 130.3 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.001 0.429 . . . . 10.0 110.629 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -101.4 162.24 13.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.87 22.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.2 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.63 17.0 6.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.473 -0.33 . . . . 10.0 111.521 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -119.95 163.65 17.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.124 0.488 . . . . 10.0 112.032 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.2 p -136.87 165.2 36.87 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.945 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.483 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -56.84 -39.34 92.08 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.093 1.862 . . . . 10.0 111.195 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.04 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.037 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -73.22 -32.3 64.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.38 . . . . 10.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.35 -2.56 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 58.57 49.07 10.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.229 0.538 . . . . 10.0 110.399 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.483 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 85.9 mtp -79.95 156.52 27.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.332 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.6 OUTLIER -116.44 175.72 5.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.893 -179.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.04 143.61 55.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.811 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.32 16.67 9.29 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.682 0.614 . . . . 10.0 111.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.77 128.45 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -92.27 130.33 37.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.241 0.543 . . . . 10.0 112.292 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -102.77 134.69 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.167 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.63 139.7 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.82 0.343 . . . . 10.0 111.618 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.8 t -123.87 124.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -128.79 171.16 12.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.226 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -106.44 154.08 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 10.0 110.309 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -81.75 137.08 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.6 111.78 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.205 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.28 63.37 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.352 -179.678 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.44 123.26 44.77 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.586 0.708 . . . . 10.0 110.582 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.17 128.14 47.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.658 -1.156 . . . . 10.0 109.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.57 132.84 9.19 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.695 -0.764 . . . . 10.0 111.769 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 64.0 m -117.98 123.11 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.392 0.596 . . . . 10.0 110.188 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.551 HG21 ' CZ ' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -124.46 130.88 73.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.171 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.22 126.35 74.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.636 -0.425 . . . . 10.0 110.895 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 11.4 pt . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 176.635 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 m80 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.914 0.388 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.45 136.67 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.836 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -111.08 113.66 26.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 10.0 110.978 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.3 mt -101.61 164.21 11.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.689 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -128.67 104.19 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.641 0.257 . . . . 10.0 110.972 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.04 130.85 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.45 142.49 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.177 0.513 . . . . 10.0 112.261 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.01 166.0 13.36 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.563 -1.015 . . . . 10.0 110.563 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.67 -2.21 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.274 0.537 . . . . 10.0 111.907 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -96.17 -30.04 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.804 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.55 -11.29 7.54 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.29 -0.957 . . . . 10.0 112.954 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 p -64.19 149.74 47.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.831 0.316 . . . . 10.0 110.189 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.14 126.94 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 10.0 110.242 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 2.2 t -118.06 115.66 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.209 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -67.71 122.19 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.397 -0.819 . . . . 10.0 108.809 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CZ ' HG23 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -102.47 100.7 10.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -178.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -92.18 104.72 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.81 173.46 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 34' ' ' ILE . 42.4 mttp -97.1 172.6 7.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.56 -16.57 60.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.051 -0.405 . . . . 10.0 111.722 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -105.43 8.44 33.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.993 0.425 . . . . 10.0 110.947 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.458 HG23 HG13 ' B' ' 202' ' ' ILE . 4.4 m -84.85 123.15 74.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.775 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.86 148.6 93.25 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 10.0 112.202 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 94.6 mt -80.54 -1.58 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.346 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -47.15 85.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.988 0.423 . . . . 10.0 110.23 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -28.46 68.19 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.104 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -61.95 -42.41 99.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.748 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.9 mtm -74.74 -41.48 60.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.463 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -71.42 -42.81 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.08 89.08 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.678 0.275 . . . . 10.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.29 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.12 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -62.26 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.429 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.34 -36.69 79.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.475 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -61.89 -38.57 88.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -85.01 -25.26 27.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.466 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.66 42.39 8.38 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.909 -0.662 . . . . 10.0 112.185 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -125.28 -174.41 3.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.068 0.461 . . . . 10.0 110.721 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 t -106.63 139.07 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.389 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttp -64.36 -17.29 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 10.0 111.295 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -84.91 -18.75 33.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 10.0 109.999 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -88.5 -8.5 54.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.982 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.67 168.0 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.023 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -137.73 146.74 44.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.913 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.45 133.55 55.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.41 . . . . 10.0 110.697 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.33 144.97 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.057 0.456 . . . . 10.0 111.099 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 77.2 t80 -141.77 123.75 15.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 62.2 26.42 15.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.618 0.574 . . . . 10.0 111.248 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 -4.82 85.64 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.06 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -112.92 144.25 30.7 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.727 0.299 . . . . 10.0 110.672 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.52 133.81 26.92 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.642 2.228 . . . . 10.0 112.174 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.8 mt -81.58 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.471 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.39 178.87 5.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -87.47 -13.87 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 10.0 110.282 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.5 p -105.73 23.48 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.324 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.82 139.18 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.957 0.408 . . . . 10.0 111.507 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.19 158.41 50.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.202 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -42.34 69.75 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.55 2.167 . . . . 10.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.09 59.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.319 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -67.86 -37.41 81.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.214 0.531 . . . . 10.0 110.192 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.14 -2.36 52.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.442 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 54.92 53.06 10.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.865 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 79.9 mtp -82.52 149.5 27.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.24 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -110.4 -171.07 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.76 145.03 36.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 65.24 16.47 10.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.821 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.31 132.48 48.48 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 9.3 m -100.93 123.4 45.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.1 mt -94.73 136.14 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 10.0 108.902 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -91.46 125.98 36.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.866 0.365 . . . . 10.0 111.108 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.77 130.09 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.3 162.77 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.787 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -97.56 148.58 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.381 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -79.97 140.75 36.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -58.14 146.93 31.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.22 -9.76 41.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.229 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.95 125.88 50.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.193 -0.603 . . . . 10.0 110.861 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.75 125.35 46.36 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.026 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.43 133.65 9.33 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -115.77 124.23 50.23 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.484 HG23 HD13 ' B' ' 200' ' ' ILE . 0.0 OUTLIER -122.65 128.5 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.029 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.53 128.78 72.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 122.0 -0.438 . . . . 10.0 111.434 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.458 HG13 HG23 ' A' ' 38' ' ' THR . 9.4 pt . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.455 -0.943 . . . . 10.0 108.455 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.417 ' NE2' ' HE2' ' A' ' 35' ' ' LYS . 43.4 m80 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.105 0.478 . . . . 10.0 111.016 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.9 tt -108.58 131.91 57.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.285 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -98.74 124.68 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.073 0.464 . . . . 10.0 111.176 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt -115.31 148.1 39.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.181 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -106.95 122.38 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.028 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.64 129.78 39.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.29 19.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 10.0 111.413 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.76 150.9 20.56 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.118 -0.563 . . . . 10.0 111.708 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -74.33 -6.05 45.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.785 0.326 . . . . 10.0 111.669 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.3 -19.03 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.096 0.474 . . . . 10.0 110.541 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -6.05 24.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.953 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -73.26 131.27 41.75 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 117.23 0.515 . . . . 10.0 109.612 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -110.17 129.63 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.203 0.525 . . . . 10.0 110.83 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -118.8 126.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.507 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -92.87 115.49 28.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.388 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.85 116.39 29.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -100.98 96.05 6.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.33 169.05 19.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.414 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HE2' ' NE2' ' A' ' 17' ' ' HIS . 14.0 mtmt -95.11 154.83 16.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -65.46 -28.5 69.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.978 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -91.67 9.67 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 10.0 111.647 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.4 m -102.08 123.6 42.91 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.735 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.65 145.7 58.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.248 2.632 . . . . 10.0 112.836 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.4 -1.59 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.122 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.99 -44.4 91.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.46 62.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.306 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.05 -40.01 96.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.059 0.457 . . . . 10.0 110.519 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.2 mtm -75.97 -38.98 56.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.421 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.04 -51.36 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.116 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.95 79.58 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 10.0 110.496 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 55' ' ' MET . 8.0 t -71.52 -29.28 64.61 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -63.57 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.448 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.454 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.6 -30.99 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.02 27.55 37.12 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.793 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.4 mt -137.17 170.76 15.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.705 0.288 . . . . 10.0 110.875 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.39 138.68 41.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.342 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.497 ' HA ' ' SG ' ' A' ' 48' ' ' CYS . 40.3 ttp -65.5 -20.74 66.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.075 0.464 . . . . 10.0 110.809 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -77.52 -12.48 59.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.972 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -80.15 -29.25 38.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 10.0 111.021 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 pt -113.07 171.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.368 . . . . 10.0 111.468 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -130.97 146.86 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.059 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -117.85 131.48 56.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.309 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -126.67 151.28 48.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 10.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 69.6 t80 -148.63 124.92 10.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.173 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t0 64.92 21.93 12.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.533 0.682 . . . . 10.0 109.805 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.65 -7.85 80.82 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.817 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 59.9 mm-40 -106.08 147.24 34.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 122.603 -0.351 . . . . 10.0 110.89 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 7.6 Cg_exo -72.26 130.7 16.71 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.757 2.305 . . . . 10.0 112.458 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mt -77.85 137.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -105.17 165.2 11.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -70.29 -12.26 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.76 20.19 19.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.347 . . . . 10.0 111.385 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -96.66 146.04 25.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.144 0.497 . . . . 10.0 111.344 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.11 157.42 76.01 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.893 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.83 -41.93 70.18 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.315 2.01 . . . . 10.0 111.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.13 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.702 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.54 -39.19 38.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 10.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.1 mt -91.98 8.24 38.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 55.28 45.4 25.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.391 0.615 . . . . 10.0 110.567 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 58.8 mtp -78.77 155.69 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.384 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.89 176.16 8.94 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.247 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.4 t70 -65.72 145.75 55.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.85 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 20.7 mt-10 73.27 17.96 3.85 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.89 0.743 . . . . 10.0 111.78 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 153.01 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 m -110.79 124.56 52.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.341 0.591 . . . . 10.0 112.09 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.8 mt -99.36 121.03 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.759 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.31 124.56 35.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.21 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.27 128.01 68.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.057 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -125.98 179.15 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.374 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -118.12 161.71 19.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.742 0.306 . . . . 10.0 110.619 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -94.32 138.56 32.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.346 -0.388 . . . . 10.0 109.954 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.13 124.22 19.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.239 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -3.09 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.311 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.531 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.872 179.694 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.1 m -117.5 123.24 45.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.45 0.643 . . . . 10.0 111.538 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.63 128.48 46.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.026 -0.988 . . . . 10.0 110.09 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.36 131.46 8.14 Favored Glycine 0 C--O 1.22 -0.746 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.412 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.18 124.27 46.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.056 0.928 . . . . 10.0 110.001 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 18.9 mt -126.6 130.27 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.059 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.79 131.25 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 122.176 -0.328 . . . . 10.0 110.154 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.324 -0.513 0 C-N-CA 120.476 -0.489 . . . . 10.0 110.339 179.681 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.3 m80 . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 120.646 0.26 . . . . 10.0 110.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 tt -96.65 124.22 49.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -92.48 121.57 34.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.034 0.445 . . . . 10.0 110.717 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -115.0 143.63 44.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -103.81 126.97 51.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 10.0 111.379 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.7 t -90.13 121.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.81 98.45 10.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.754 0.312 . . . . 10.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.24 148.94 28.7 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.911 -0.876 . . . . 10.0 110.911 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -67.3 -13.53 62.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 10.0 111.413 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -88.85 -12.77 40.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.745 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.15 -4.3 44.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.458 -0.877 . . . . 10.0 114.121 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 p -74.7 160.62 30.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 117.636 0.718 . . . . 10.0 111.065 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.57 130.56 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.236 0.541 . . . . 10.0 111.049 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 27.9 t -118.06 121.99 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.883 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -87.82 107.84 18.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.793 -0.64 . . . . 10.0 109.653 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' B' ' 200' ' ' ILE . 1.2 m-85 -94.18 109.28 21.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -94.73 99.22 11.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.14 162.53 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.358 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.494 ' O ' HG13 ' A' ' 34' ' ' ILE . 65.2 mttt -88.85 167.36 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.716 0.293 . . . . 10.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -73.8 -18.96 60.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -92.0 -20.7 21.07 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.733 -0.387 . . . . 10.0 111.474 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.51 120.67 64.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.285 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.62 142.34 98.66 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.683 2.255 . . . . 10.0 111.554 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.23 -4.99 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.782 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.29 -33.36 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -66.91 -38.52 86.38 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.415 -0.812 . . . . 10.0 109.182 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.68 -27.13 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.042 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 77.5 mtm -85.11 -5.53 59.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.139 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -117.22 -34.88 4.2 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.76 -59.24 4.87 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.924 0.712 . . . . 10.0 112.924 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -69.68 -30.92 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.008 0.432 . . . . 10.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.77 -42.81 98.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.362 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.31 -30.67 68.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.325 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.48 -40.17 81.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 10.0 110.034 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -79.82 -20.12 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.33 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.69 31.91 48.01 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.582 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.5 mt -107.4 175.53 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.529 . . . . 10.0 110.999 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -94.36 142.52 27.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.03 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.8 ttp -69.64 -14.84 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 10.0 109.855 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.34 -12.67 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.735 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -82.44 -32.77 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.628 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 pt -110.01 168.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.399 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -133.86 142.95 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.804 -0.634 . . . . 10.0 109.92 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -116.8 125.31 51.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.574 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . 79.7 mtt180 -122.86 146.28 47.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.45 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 9.4 t80 -137.9 113.2 9.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.696 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 60.9 40.8 15.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.902 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.9 -40.74 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.723 . . . . 10.0 113.473 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.6 mm-40 -89.42 133.62 34.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.986 0.393 . . . . 10.0 111.354 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 61' ' ' ARG . 24.4 Cg_exo -64.08 149.96 89.33 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.968 2.445 . . . . 10.0 112.119 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.9 mt -88.37 129.13 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.828 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -89.87 163.06 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -83.16 22.95 0.92 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.59 29.3 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.768 0.318 . . . . 10.0 111.6 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -126.68 152.34 46.88 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 111.59 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.7 p -119.02 164.95 18.43 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.929 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.714 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -57.52 -38.18 94.79 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.435 2.09 . . . . 10.0 111.864 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.5 -33.85 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.561 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -64.03 -36.21 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.48 0.45 56.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.124 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 55.99 51.16 12.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.126 0.488 . . . . 10.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.714 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 38.4 mtp -82.61 156.15 24.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.183 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -110.99 172.9 6.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.37 145.72 37.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 62.65 38.23 12.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.28 -177.67 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.63 . . . . 10.0 109.422 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -125.44 138.98 54.02 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.36 129.85 70.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.227 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.25 128.69 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 10.0 111.345 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.93 112.62 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.389 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -113.99 173.81 6.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.399 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -118.06 144.85 45.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.435 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -73.05 143.04 47.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.16 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -60.34 126.89 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.366 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 3.64 54.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.342 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.058 -0.592 . . . . 10.0 111.99 179.689 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 6.7 m -118.13 125.64 50.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.347 0.594 . . . . 10.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.38 128.79 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.462 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.55 131.49 8.58 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.817 -0.913 . . . . 10.0 110.817 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.7 m -117.76 123.68 46.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.815 0.807 . . . . 10.0 110.257 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.511 HD13 ' CE1' ' A' ' 32' ' ' PHE . 22.6 mt -125.47 131.35 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.083 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.0 p -122.74 126.69 74.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.226 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 m80 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.935 0.397 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.3 tt -128.58 138.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 55.0 m-80 -103.6 130.86 51.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.991 0.425 . . . . 10.0 111.13 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.9 mt -116.58 163.81 15.53 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 83' ' ' THR . 98.5 mttt -118.54 135.18 54.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.389 0.614 . . . . 10.0 112.23 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.57 117.7 52.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.366 -0.975 . . . . 10.0 108.366 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.81 48.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.481 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.65 170.58 54.23 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.703 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -72.97 -13.5 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 10.0 111.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.57 -10.8 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.037 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.7 -4.49 36.8 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.989 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -69.42 143.0 53.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -127.1 130.0 71.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.813 0.339 . . . . 10.0 110.725 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -115.57 123.34 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.183 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -80.94 115.02 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -93.5 107.93 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.842 -178.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.13 102.81 14.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.74 171.84 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.598 -178.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' ILE . 32.1 mttp -94.03 159.68 15.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -71.74 -7.36 47.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -101.86 -5.48 24.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 10.0 110.693 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.3 m -78.69 119.45 77.33 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.981 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.99 150.96 81.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.825 2.35 . . . . 10.0 111.816 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.3 mt -71.67 -8.97 57.39 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -64.27 -35.23 80.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 10.0 109.733 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -64.41 -43.33 94.73 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.01 -0.995 . . . . 10.0 110.218 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -57.55 -43.85 84.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.031 179.605 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 50.0 ttm -65.37 -41.33 93.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.213 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -82.33 -41.61 19.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -72.44 -27.97 62.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 10.0 110.495 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.498 ' SG ' HD13 ' A' ' 58' ' ' ILE . 6.4 t -62.3 -37.63 86.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.581 -0.525 . . . . 10.0 109.581 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -68.43 -31.97 71.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.602 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -68.38 -25.56 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -97.45 -19.73 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.48 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.1 46.27 59.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.44 -179.78 5.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.629 0.252 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -93.14 144.95 24.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.057 0.456 . . . . 10.0 110.705 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.8 -16.4 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.628 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt85 -92.08 2.09 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -107.2 -29.82 9.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.94 0.4 . . . . 10.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.498 HD13 ' SG ' ' A' ' 48' ' ' CYS . 9.1 pt -110.71 137.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.72 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -116.73 144.94 43.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -119.37 140.12 50.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.834 0.35 . . . . 10.0 110.779 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.2 145.4 51.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 10.0 111.963 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -142.44 134.44 27.25 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.926 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 59.92 27.57 16.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 10.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.85 8.3 87.3 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.757 -0.656 . . . . 10.0 113.201 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -124.1 149.65 61.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.986 0.393 . . . . 10.0 111.098 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.34 136.87 38.33 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.512 2.141 . . . . 10.0 111.485 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.26 129.7 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.843 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -88.3 164.6 15.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -78.66 -6.22 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -111.01 11.61 22.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.58 0.705 . . . . 10.0 110.462 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -83.16 141.77 31.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 151.09 56.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.437 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 51.7 Cg_exo -53.98 -45.51 40.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.785 2.324 . . . . 10.0 112.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.76 -17.81 61.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.344 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -83.64 -34.12 25.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 10.0 110.653 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt -92.08 9.75 32.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 55.77 48.97 17.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.437 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 91.7 mtp -82.91 153.43 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.759 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.25 -160.47 1.14 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.2 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 156.67 37.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.582 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 62.03 25.87 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 112.093 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.22 126.92 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 4.5 m -114.89 128.05 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.92 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.91 131.42 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.873 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.11 138.83 32.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.565 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -111.73 132.51 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.79 167.39 18.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -123.55 147.7 47.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 10.0 110.777 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.21 154.49 41.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -72.84 141.25 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.371 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -27.44 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.92 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 C-N-CA 120.886 -0.673 . . . . 10.0 111.704 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.237 0.423 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.05 120.69 38.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.604 -0.838 . . . . 10.0 110.825 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.35 127.19 43.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.094 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.02 131.22 8.34 Favored Glycine 0 N--CA 1.437 -1.239 0 C-N-CA 120.352 -0.927 . . . . 10.0 110.79 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.72 122.97 44.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.686 0.743 . . . . 10.0 109.018 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 15.6 tt -125.13 127.89 72.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.484 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.7 p -122.74 128.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.468 -0.493 . . . . 10.0 110.623 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.436 HG22 HD13 ' B' ' 202' ' ' ILE . 16.0 pt . . . . . 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 10.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.8 m80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.54 0.209 . . . . 10.0 110.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' ILE . 17.7 tt -107.76 136.81 41.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -98.5 108.92 21.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.71 0.291 . . . . 10.0 110.692 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.9 mt -101.59 133.49 46.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.164 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.94 115.41 28.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 10.0 111.391 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.481 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 69.9 t -99.36 112.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.86 121.44 43.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.925 0.393 . . . . 10.0 111.885 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.9 37.09 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.572 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -80.09 -5.34 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 10.0 110.898 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -95.9 -14.73 22.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.07 -6.71 32.6 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.475 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.9 p -80.97 135.73 35.91 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 117.475 0.638 . . . . 10.0 110.084 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.56 135.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.061 0.458 . . . . 10.0 110.472 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 53.1 t -115.54 127.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.089 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -91.32 104.3 16.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.42 116.17 27.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.979 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -101.22 100.22 10.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -137.02 170.28 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.792 -178.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 24.5 mttp -99.77 160.85 13.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -63.52 -24.98 68.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -91.28 3.72 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.481 . . . . 10.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.5 m -93.51 117.99 67.45 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.943 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.06 140.86 80.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.125 2.55 . . . . 10.0 112.99 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -74.97 -5.3 43.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.663 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.95 96.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.487 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -67.34 -34.64 77.76 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.7 -43.82 97.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 73.2 mtm -69.53 -44.93 69.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.697 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 52.2 mtmt -66.32 -50.52 63.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 10.0 112.071 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.38 76.66 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 83.0 t80 -63.08 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.607 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.51 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 10.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 53.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.795 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -69.6 -34.11 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.532 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 11.5 mm100 -76.6 -33.5 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.039 0.447 . . . . 10.0 109.849 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.25 11.92 43.82 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.7 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.3 mt -114.62 162.27 16.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.952 0.406 . . . . 10.0 110.903 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -77.48 155.84 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.471 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.4 ttp -70.85 -9.98 58.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -89.73 -7.42 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.245 0.545 . . . . 10.0 110.042 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -100.43 -34.74 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.4 mt -99.85 129.17 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -105.54 141.26 37.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.294 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -123.32 133.36 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.869 0.366 . . . . 10.0 111.004 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -130.02 141.6 50.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.783 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -139.13 130.38 26.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.465 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t0 68.28 10.34 7.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.48 -29.94 9.02 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.666 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -102.72 154.54 37.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.7 -0.294 . . . . 10.0 111.246 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.71 155.98 64.67 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.712 2.274 . . . . 10.0 112.143 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.8 mt -94.58 138.72 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.894 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -90.38 172.7 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.72 -8.27 59.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.711 0.291 . . . . 10.0 111.294 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.96 30.05 7.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.144 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -99.65 135.62 40.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 10.0 111.489 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.6 157.19 50.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.707 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.04 -28.44 87.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.426 2.084 . . . . 10.0 111.631 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.81 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.568 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -76.28 -47.27 24.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.134 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.4 mt -87.32 -2.73 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.512 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 77' ' ' GLU . 5.0 mm-40 53.28 63.21 2.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.87 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.9 mtp -82.2 153.05 26.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.268 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 64.9 mm-40 -107.5 166.93 10.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.651 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.09 140.24 56.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 70.95 16.38 6.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.581 . . . . 10.0 111.638 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.84 148.22 52.13 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.85 131.28 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 mt -104.42 138.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.273 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 132.05 39.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.894 0.378 . . . . 10.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 125.05 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.334 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -126.76 165.6 18.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.809 0.338 . . . . 10.0 110.643 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -110.55 138.3 47.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.269 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -66.78 146.26 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -67.35 142.2 56.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.347 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 -45.98 12.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.208 0.528 . . . . 10.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.809 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.409 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -117.17 123.81 47.61 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.392 0.615 . . . . 10.0 109.848 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.63 131.75 52.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.95 130.97 8.25 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.589 -1.005 . . . . 10.0 110.589 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 17.9 m -119.08 124.59 47.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.269 1.034 . . . . 10.0 110.375 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.405 HD12 HG21 ' B' ' 200' ' ' ILE . 19.9 mt -125.59 130.03 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.584 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.98 128.11 76.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.509 HD13 HG22 ' B' ' 202' ' ' ILE . 8.7 pt . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 40.6 m80 . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.837 0.351 . . . . 10.0 110.19 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 tt -108.84 128.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -99.28 105.68 17.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.111 0.482 . . . . 10.0 110.965 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 mt -95.1 155.91 16.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.981 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -118.53 120.88 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.943 0.402 . . . . 10.0 111.276 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.488 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 98.9 t -89.78 128.83 41.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.44 110.5 22.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.456 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.21 161.23 39.19 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.2 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -77.26 -3.49 40.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 10.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -108.26 8.42 27.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.61 0.92 83.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.905 -0.664 . . . . 10.0 113.316 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 p -73.25 156.49 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.057 0.428 . . . . 10.0 110.743 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.7 p -134.54 133.76 54.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.088 0.471 . . . . 10.0 110.089 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG21 ' CE2' ' A' ' 47' ' ' TYR . 66.8 t -122.84 125.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -87.02 110.31 19.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.429 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' B' ' 200' ' ' ILE . 1.3 m-85 -98.47 104.97 17.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.124 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -89.62 99.56 12.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.173 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.64 165.11 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 10.0 109.929 -179.178 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 37.8 mttt -90.55 159.12 16.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -68.24 -20.98 64.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.571 0.224 . . . . 10.0 111.554 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.421 ' NE2' ' HD3' ' A' ' 35' ' ' LYS . 31.6 p80 -94.22 -3.94 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 10.0 110.585 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.498 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 27.8 m -81.57 122.86 81.06 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.201 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.0 137.9 83.23 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.676 2.251 . . . . 10.0 112.11 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.66 -5.22 36.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.923 0.392 . . . . 10.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -41.73 84.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.67 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HB2' HD13 ' B' ' 202' ' ' ILE . 2.0 mtpp -67.96 -35.87 79.11 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.12 0.486 . . . . 10.0 109.814 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.06 -32.34 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.382 -0.827 . . . . 10.0 111.329 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.96 -1.21 57.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.753 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -118.87 -38.44 3.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.59 77.66 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.759 0.281 . . . . 10.0 111.759 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.5 ' CE2' HG21 ' A' ' 30' ' ' VAL . 27.0 t80 -67.35 -37.51 83.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.6 80.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.256 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.04 -34.43 78.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.199 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 89.0 mtt180 -76.8 -34.65 57.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.283 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -77.7 -25.57 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.01 34.18 27.59 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.094 -0.803 . . . . 10.0 111.094 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -120.53 172.47 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 10.0 110.648 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -96.87 144.74 26.53 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.1 ttp -62.67 -26.59 68.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.984 0.421 . . . . 10.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -84.52 -7.29 59.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -86.36 -21.18 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.003 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 pt -123.62 175.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -136.09 138.56 42.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.264 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.44 127.99 54.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.95 137.86 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.948 0.404 . . . . 10.0 111.005 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -132.69 128.43 36.95 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 63.59 16.77 9.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.458 0.647 . . . . 10.0 109.962 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.05 70.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.483 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 86.5 mm-40 -106.99 138.73 19.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.579 0.189 . . . . 10.0 111.097 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 22.0 Cg_exo -65.36 131.72 29.12 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.577 2.185 . . . . 10.0 111.972 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.22 135.14 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.691 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -88.5 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.26 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.49 3.38 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.744 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.4 p -126.77 49.2 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.634 0.235 . . . . 10.0 111.634 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -139.26 149.34 44.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 10.0 111.727 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.0 p -116.55 164.95 16.38 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.026 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.632 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.4 Cg_exo -60.34 -32.32 93.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.194 1.929 . . . . 10.0 111.452 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -37.34 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.543 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -63.7 -37.6 87.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.062 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -93.63 7.01 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.588 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 52.63 53.28 12.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.187 0.518 . . . . 10.0 110.916 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.632 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 76.7 mtp -88.45 145.54 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.378 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -106.59 175.74 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.605 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 145.61 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.693 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 66.35 26.68 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.323 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 134.46 34.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.28 141.48 28.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.228 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.9 mt -121.72 134.36 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -94.32 138.21 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.119 0.485 . . . . 10.0 111.984 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.68 117.26 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.596 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.51 164.25 13.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.953 0.406 . . . . 10.0 111.421 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -97.4 147.67 23.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.527 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -84.8 148.8 26.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -59.34 115.78 3.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -30.42 70.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.112 0.482 . . . . 10.0 111.068 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 111.634 -0.587 . . . . 10.0 111.634 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.42 122.97 42.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.697 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.91 126.11 43.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.85 131.48 8.27 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 37.9 m -119.36 124.62 47.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 118.132 0.966 . . . . 10.0 110.399 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 32' ' ' PHE . 21.4 mt -127.11 131.09 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.052 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.4 128.74 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.446 HG13 HG22 ' A' ' 38' ' ' THR . 6.2 pt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.872 0.368 . . . . 10.0 110.919 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 m80 . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.552 0.215 . . . . 10.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 tt -126.52 135.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -100.53 113.76 26.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.85 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.5 mt -100.07 161.46 13.59 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.6 mttt -130.64 130.67 44.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.185 0.517 . . . . 10.0 111.336 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -87.76 134.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.917 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.71 96.49 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.89 0.376 . . . . 10.0 110.403 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.2 152.02 26.38 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.49 -9.21 58.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 10.0 111.214 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -98.94 -6.45 28.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.715 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.4 -0.99 60.15 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.11 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 p -67.19 136.27 54.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 10.0 110.719 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.35 118.68 58.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.212 0.529 . . . . 10.0 110.174 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 62.0 t -119.32 124.28 72.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.732 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -91.27 124.05 35.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CG ' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.71 114.5 28.64 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.472 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -90.36 113.06 24.86 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.58 -1.267 . . . . 10.0 107.58 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tt -139.52 153.6 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.03 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 46.7 mttp -81.19 156.66 25.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.964 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -100.01 8.16 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 53.0 m -90.48 126.64 55.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.548 0.213 . . . . 10.0 111.075 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.17 137.54 77.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.056 2.504 . . . . 10.0 112.668 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.73 -8.41 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.456 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -34.41 71.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -64.34 -38.44 91.03 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-O 121.187 0.518 . . . . 10.0 110.475 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 32' ' ' PHE . 1.5 tt -65.14 -35.46 81.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.341 -0.845 . . . . 10.0 110.955 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.7 mtm -73.45 -26.55 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.048 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -90.62 -49.24 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.52 -54.66 16.78 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.269 0.84 . . . . 10.0 113.269 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CE2' HG21 ' A' ' 30' ' ' VAL . 11.1 t80 -70.73 -32.61 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.691 -0.404 . . . . 10.0 111.107 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.5 t -64.64 -41.17 96.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.044 0.45 . . . . 10.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.63 -37.65 87.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.145 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.31 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.3 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -81.67 -12.04 58.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.996 0.427 . . . . 10.0 110.338 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.75 44.64 61.95 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.936 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.1 mt -142.35 171.08 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.729 0.299 . . . . 10.0 110.697 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -89.06 142.75 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.9 ttp -63.7 -17.27 62.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.25 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -74.83 -15.31 60.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.997 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -87.34 -25.67 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.908 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 88' ' ' GLN . 5.4 pt -104.16 163.47 3.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.113 0.482 . . . . 10.0 112.086 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -135.95 128.46 30.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.521 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -102.44 139.18 38.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.84 0.352 . . . . 10.0 111.048 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -133.44 135.45 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.172 0.51 . . . . 10.0 111.097 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 78.9 t80 -136.96 128.36 28.31 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.12 26.46 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.879 0.847 . . . . 10.0 109.544 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.91 5.19 84.16 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.314 -0.857 . . . . 10.0 112.615 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -119.61 145.15 38.43 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.842 -0.211 . . . . 10.0 110.444 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.53 148.79 90.63 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.41 2.074 . . . . 10.0 111.577 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 mt -97.38 144.38 10.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.561 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -92.82 -172.17 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -106.64 25.12 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.231 0.539 . . . . 10.0 110.136 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.92 24.02 1.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.245 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.36 146.61 31.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.754 0.311 . . . . 10.0 111.389 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p -123.17 160.55 49.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.772 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.61 -36.76 98.3 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.348 2.032 . . . . 10.0 111.864 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.787 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -60.84 -45.76 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.664 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -84.58 7.94 18.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 54.32 50.02 17.23 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.165 0.507 . . . . 10.0 111.0 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.408 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 74.3 mtp -83.96 142.47 30.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.985 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -108.26 176.38 5.15 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.3 t70 -69.24 143.83 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 26.6 mt-10 71.95 13.57 5.96 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.624 0.578 . . . . 10.0 112.058 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.14 106.75 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 10.0 110.004 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.96 134.62 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.483 -0.781 . . . . 10.0 111.732 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.6 mt -112.16 126.51 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.163 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.72 134.15 40.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.426 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -122.18 113.89 40.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.582 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.18 -177.88 3.38 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 58' ' ' ILE . 48.4 mt-30 -127.91 159.77 33.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.769 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -69.19 143.0 54.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 10.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.75 30.84 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.285 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.253 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.14 122.99 43.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.158 -0.617 . . . . 10.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.44 41.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.64 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.35 130.06 7.6 Favored Glycine 0 N--CA 1.442 -0.967 0 C-N-CA 120.215 -0.993 . . . . 10.0 111.621 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 4.2 p -121.53 122.69 40.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 117.643 0.721 . . . . 10.0 109.491 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 25.1 mt -125.8 128.88 72.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.22 128.15 75.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.314 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.441 -0.91 0 CA-C-O 121.643 0.735 . . . . 10.0 109.681 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.401 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 73.4 m80 . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.817 0.341 . . . . 10.0 110.134 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.4 tt -121.71 128.36 75.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.074 0.464 . . . . 10.0 109.867 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -91.78 118.47 30.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.051 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.1 mt -115.35 135.49 54.08 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 83' ' ' THR . 89.0 mttt -106.06 114.54 28.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.936 0.398 . . . . 10.0 111.226 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.474 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.1 t -82.14 132.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.843 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 161.89 16.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.46 143.22 10.24 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -64.56 -27.59 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 10.0 110.723 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.52 -17.79 40.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.136 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.24 0.17 44.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.242 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -66.48 129.86 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.277 0.538 . . . . 10.0 110.401 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.53 129.99 57.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 10.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 33.7 t -120.65 118.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.31 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -91.53 105.09 17.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.849 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' B' ' 200' ' ' ILE . 0.8 OUTLIER -90.65 118.83 30.4 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.639 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -108.63 100.3 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -131.83 161.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.81 -178.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 34' ' ' ILE . 40.2 mttt -77.39 151.9 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.17 -20.86 65.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -93.97 1.09 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 10.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 95.4 m -89.51 124.94 63.04 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.359 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.9 143.34 92.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.056 2.504 . . . . 10.0 113.001 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.83 -4.64 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.352 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -50.15 74.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.567 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -29.6 70.67 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.714 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.8 -43.94 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 10.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.82 -38.51 79.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.433 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.54 -47.73 58.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.483 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.79 -48.23 75.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.636 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -65.29 -39.11 92.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.016 0.436 . . . . 10.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.1 t -64.34 -43.23 95.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.34 -27.3 67.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.722 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -67.95 -38.51 82.89 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.074 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.11 30.03 26.67 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.939 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -114.26 171.33 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.574 0.226 . . . . 10.0 110.758 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -86.07 143.31 28.14 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.5 ttp -64.13 -19.89 65.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 10.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -88.5 -4.29 58.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.043 0.449 . . . . 10.0 110.553 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -89.34 -22.71 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.948 0.404 . . . . 10.0 110.66 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.9 pt -123.17 165.64 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.361 . . . . 10.0 111.231 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.23 137.51 48.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -106.31 130.92 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.9 0.381 . . . . 10.0 110.773 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -124.76 142.29 51.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.784 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -141.21 128.16 20.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 61.85 28.97 17.76 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.499 0.666 . . . . 10.0 110.378 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.03 5.07 89.74 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.647 -0.706 . . . . 10.0 113.352 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -124.12 149.66 61.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.093 0.447 . . . . 10.0 110.96 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.12 132.8 27.01 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.609 2.206 . . . . 10.0 111.744 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mt -80.99 131.62 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.405 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.507 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 88.9 m-20 -79.96 169.18 18.24 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.83 25.43 4.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.919 0.39 . . . . 10.0 111.446 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.9 45.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.507 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 9.8 m-20 -130.07 156.71 44.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.178 0.513 . . . . 10.0 111.924 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.5 p -126.18 162.74 44.24 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.312 -0.858 . . . . 10.0 108.792 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.543 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.0 Cg_exo -58.8 -32.16 96.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.15 1.9 . . . . 10.0 111.658 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.5 -30.73 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.066 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -70.36 -38.53 74.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.326 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -94.32 7.44 45.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.605 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 52.59 50.99 16.99 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.203 0.525 . . . . 10.0 110.716 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.543 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.4 mtp -84.4 138.64 32.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.033 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -94.06 167.66 11.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.8 141.55 42.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.154 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 70.58 30.43 3.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.537 0.735 . . . . 10.0 112.499 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.78 178.4 8.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m -122.86 129.97 52.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.129 0.49 . . . . 10.0 112.318 -178.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.2 mt -104.44 130.94 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.614 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.32 139.15 35.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.411 . . . . 10.0 111.88 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.8 t -129.39 124.17 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.104 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.39 164.18 20.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.72 -0.218 . . . . 10.0 110.59 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -90.82 149.02 22.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.91 0.386 . . . . 10.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -82.22 140.45 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.271 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.3 117.3 3.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.982 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.79 34.16 2.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.421 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 C-N-CA 120.962 -0.637 . . . . 10.0 111.798 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 120.753 0.311 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.42 128.22 54.41 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 120.969 0.414 . . . . 10.0 110.28 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.56 126.99 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.19 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.77 134.21 9.49 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.66 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.0 m -118.33 126.39 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.944 0.872 . . . . 10.0 110.489 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 18.4 mt -124.54 129.42 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.373 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.03 128.36 76.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.416 HG12 ' CG2' ' A' ' 34' ' ' ILE . 6.4 pt . . . . . 0 C--O 1.236 0.369 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.092 0.472 . . . . 10.0 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 34' ' ' ILE . 16.5 tt -111.5 139.2 36.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.501 -0.926 . . . . 10.0 108.501 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -100.6 103.84 15.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.922 0.392 . . . . 10.0 110.948 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.8 mt -100.58 154.84 18.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.419 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -112.46 126.3 55.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.964 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -108.32 114.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.95 137.83 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.76 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.92 163.6 12.95 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.854 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.27 -6.86 42.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.075 0.464 . . . . 10.0 111.404 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.62 -5.4 25.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.13 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.6 14.8 49.0 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.848 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 p -85.03 151.34 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -129.9 119.65 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.181 0.515 . . . . 10.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.97 122.12 67.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.525 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.45 118.0 24.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.403 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -100.43 111.52 23.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.501 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.74 101.45 13.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 18' ' ' ILE . 3.3 tt -134.55 152.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.954 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -79.16 148.71 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 36' ' ' ARG . 39.9 mtp85 -68.2 -7.13 27.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -108.0 -1.38 20.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.953 0.406 . . . . 10.0 111.029 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -85.98 127.76 60.78 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.883 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.46 137.37 77.4 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.038 2.492 . . . . 10.0 112.669 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -72.27 -4.27 28.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.676 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -33.49 71.14 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.844 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -73.35 -35.34 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 10.0 109.576 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.41 -20.62 65.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 40.9 mtm -97.86 12.53 33.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.848 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -135.3 -38.34 0.76 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.96 -50.23 71.36 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -68.81 -34.05 74.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 10.0 110.078 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.573 ' SG ' HD13 ' A' ' 58' ' ' ILE . 37.3 m -62.68 -43.88 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -61.16 -43.35 99.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -68.12 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.153 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -79.25 -26.53 42.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 10.0 110.271 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.93 25.8 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.629 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.06 154.17 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 10.0 110.605 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 t -85.61 150.76 24.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.761 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.7 ttp -62.57 -18.05 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 10.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 56' ' ' ARG . 7.2 tpt180 -76.65 -22.08 54.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -86.85 -33.77 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.573 HD13 ' SG ' ' A' ' 48' ' ' CYS . 8.9 pt -108.27 169.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.857 0.36 . . . . 10.0 111.49 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.0 142.73 49.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -112.94 135.32 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -136.11 145.78 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.23 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -141.19 127.03 19.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.599 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 61.26 23.11 13.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.239 0.542 . . . . 10.0 111.058 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.11 -2.74 81.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.86 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -110.17 139.89 21.86 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.774 -0.251 . . . . 10.0 110.768 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -69.4 127.82 15.45 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.347 2.031 . . . . 10.0 110.903 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mt -73.04 133.63 31.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.111 0.481 . . . . 10.0 111.671 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.98 167.13 12.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.877 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -84.65 -1.92 56.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.95 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -117.62 34.94 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.71 0.29 . . . . 10.0 111.779 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -121.68 152.64 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.094 0.473 . . . . 10.0 111.943 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.41 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 28.9 p -126.54 164.42 34.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.57 -36.55 98.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.979 1.786 . . . . 10.0 111.502 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.42 62.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.247 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.41 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.9 tp60 -63.0 -35.21 79.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 10.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.2 mt -96.23 6.12 49.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.351 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 54.2 44.48 29.06 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.308 0.575 . . . . 10.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.5 mtp -80.99 161.92 24.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.787 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.512 ' C ' HD12 ' A' ' 18' ' ' ILE . 51.5 mm-40 -133.52 -177.9 4.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.398 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.31 153.12 42.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.808 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 70.72 11.67 7.21 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.468 0.707 . . . . 10.0 112.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.98 146.4 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 131.99 54.78 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.6 0.593 . . . . 10.0 112.6 -178.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.2 mp -102.72 130.54 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.219 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.97 125.63 35.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.286 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.6 t -108.85 114.49 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.61 176.19 5.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.982 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -119.4 146.9 44.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.687 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -81.32 143.5 32.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.84 0.352 . . . . 10.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -63.98 138.56 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.76 -30.29 51.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.133 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.764 -0.731 . . . . 10.0 112.166 -179.805 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.91 121.66 39.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.027 -0.669 . . . . 10.0 111.411 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.33 124.55 38.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.722 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.43 130.75 7.62 Favored Glycine 0 C--O 1.22 -0.781 0 C-N-CA 120.667 -0.777 . . . . 10.0 112.478 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 73.8 m -121.14 123.44 42.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.131 0.965 . . . . 10.0 110.711 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.414 HD12 HG21 ' B' ' 200' ' ' ILE . 27.4 mt -126.53 129.15 71.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.721 178.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.31 127.26 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 122.228 -0.295 . . . . 10.0 110.257 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.425 HD13 HG22 ' B' ' 202' ' ' ILE . 3.2 pt . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 120.884 0.373 . . . . 10.0 110.755 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 m80 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.6 tt -101.0 143.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 21.0 m-80 -115.42 123.25 48.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.186 0.517 . . . . 10.0 111.253 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.2 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.413 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 83' ' ' THR . 96.8 mttt -125.49 122.7 37.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.095 0.474 . . . . 10.0 111.363 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 71.4 t -86.81 127.1 40.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.886 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.93 105.35 17.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.942 0.401 . . . . 10.0 111.149 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.89 143.68 25.62 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -65.35 -17.48 64.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.87 0.367 . . . . 10.0 111.664 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.2 -23.78 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.298 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.58 -24.32 5.84 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.419 -0.896 . . . . 10.0 112.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 p -60.15 152.09 25.31 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.739 0.304 . . . . 10.0 110.416 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.32 142.7 37.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 10.0 110.968 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 5.7 t -122.87 118.98 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.402 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.98 113.31 24.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.969 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 19' ' ' ASN . 1.2 m-85 -95.76 112.73 24.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.265 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -97.79 102.35 14.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -136.77 161.53 36.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.362 -178.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 34' ' ' ILE . 50.4 mttp -79.69 153.09 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.02 -14.19 59.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -104.89 10.54 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.892 0.377 . . . . 10.0 111.374 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -83.38 126.01 72.72 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.162 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.83 136.07 58.71 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.057 2.505 . . . . 10.0 112.381 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.85 -20.06 65.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.582 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -23.89 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.029 0.443 . . . . 10.0 110.714 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -65.99 -44.09 85.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.588 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.42 -36.72 85.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 10.0 110.313 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.442 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 29.8 ttm -62.45 -30.7 71.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -96.54 -36.41 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.984 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.48 -56.67 18.27 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -68.82 -28.86 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 10.0 110.516 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 53' ' ' LEU . 50.0 t -65.12 -49.48 69.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.98 -30.41 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -68.57 -38.76 80.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.756 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -75.81 -29.8 58.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 10.0 110.205 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.31 37.81 6.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.067 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 HD11 ' SG ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.3 -175.92 3.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 10.0 110.736 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.5 t -85.39 139.83 31.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.577 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.3 ttp -67.58 -23.73 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.313 0.578 . . . . 10.0 110.823 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -86.53 -10.27 54.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.971 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -88.52 -2.44 58.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 10.0 110.608 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 pt -129.42 170.1 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.524 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -140.33 142.01 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.271 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 44' ' ' MET . 27.6 m-85 -112.15 134.7 53.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.884 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -128.71 144.61 51.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.128 0.49 . . . . 10.0 111.406 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -141.19 121.15 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.984 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.07 32.74 17.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.675 0.75 . . . . 10.0 109.798 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.97 63.07 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.885 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 57.4 mm-40 -107.39 135.72 19.65 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.702 -0.293 . . . . 10.0 110.384 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 26.1 Cg_exo -62.62 142.74 90.86 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.484 2.123 . . . . 10.0 111.768 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.0 mt -89.95 131.68 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.77 0.319 . . . . 10.0 110.809 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -96.3 163.2 13.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.23 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.63 11.57 14.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.865 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 32.19 5.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.971 0.415 . . . . 10.0 111.403 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -125.46 166.07 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 10.0 111.285 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.78 161.64 62.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.241 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.16 -53.26 7.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.107 2.538 . . . . 10.0 112.752 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.94 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.587 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -78.55 -35.7 45.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.984 0.421 . . . . 10.0 110.248 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 mt -94.4 4.31 54.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.15 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 60.9 38.39 17.74 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.32 161.79 28.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.71 179.82 4.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.576 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.04 144.55 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.295 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 67.34 24.39 8.98 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.333 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 137.23 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 m -91.08 142.26 27.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.992 0.425 . . . . 10.0 111.784 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.6 mt -121.15 132.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.028 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 2.1 m-20 -90.02 132.92 35.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.1 t -123.35 122.74 65.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.2 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 85' ' ' ASP . 66.7 m-85 -126.44 167.35 15.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.021 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -104.07 149.03 25.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -74.08 146.73 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -69.66 154.19 42.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.756 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -99.15 -43.44 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.148 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 121.77 40.52 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.121 -0.631 . . . . 10.0 111.062 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.86 126.84 43.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.461 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.66 129.02 7.52 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.323 -0.942 . . . . 10.0 111.61 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 23.6 m -121.48 125.27 46.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.546 0.673 . . . . 10.0 110.525 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.401 HD11 ' CE1' ' A' ' 32' ' ' PHE . 8.8 mt -126.99 129.14 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.823 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -121.49 125.92 74.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.092 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.504 HD13 HG22 ' B' ' 202' ' ' ILE . 4.3 pt . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 10.0 111.062 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.8 m80 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.77 0.319 . . . . 10.0 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 34' ' ' ILE . 18.9 tt -100.93 141.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.786 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -99.12 105.45 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.007 0.432 . . . . 10.0 111.316 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.23 128.52 54.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.807 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -100.2 117.09 33.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.459 . . . . 10.0 111.174 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.17 136.14 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.87 121.88 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.801 0.334 . . . . 10.0 111.16 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.95 -139.21 5.12 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.888 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -112.5 9.45 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.845 0.355 . . . . 10.0 110.954 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.35 -63.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.128 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.07 -7.98 0.49 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.02 98.63 2.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.76 0.314 . . . . 10.0 110.327 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.9 132.13 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.268 0.556 . . . . 10.0 111.195 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 HG21 ' CE2' ' A' ' 47' ' ' TYR . 86.5 t -120.34 122.31 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.288 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -92.3 116.06 28.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.425 ' CE1' HD13 ' B' ' 200' ' ' ILE . 1.7 m-85 -95.62 123.14 39.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.767 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -102.88 98.94 8.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.11 157.52 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.72 -178.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' ILE . 30.6 mttt -79.49 161.82 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -70.96 -15.21 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.791 0.293 . . . . 10.0 111.791 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -98.15 -4.68 35.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.042 0.448 . . . . 10.0 110.309 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.405 HG23 HG13 ' B' ' 202' ' ' ILE . 35.7 m -80.88 122.98 82.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.234 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.9 138.53 82.25 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.123 2.549 . . . . 10.0 112.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.97 -7.84 54.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.95 83.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.784 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -28.94 67.79 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.315 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -64.63 -41.14 96.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.041 0.448 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 78.6 mtm -72.82 -38.25 67.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.657 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HG3' ' SD ' ' A' ' 55' ' ' MET . 10.7 mtmt -72.07 -45.63 59.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.901 -0.59 . . . . 10.0 112.092 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.0 -54.73 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.141 0.423 . . . . 10.0 112.141 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CE2' HG21 ' A' ' 30' ' ' VAL . 11.1 t80 -63.31 -40.16 96.58 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.678 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.0 t -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -36.6 84.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.024 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -66.72 -30.73 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.638 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.0 mm100 -83.74 -19.8 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.339 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.19 42.82 18.15 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.3 mt -132.42 177.39 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -95.51 140.56 30.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.44 ' SD ' ' HG3' ' A' ' 45' ' ' LYS . 31.9 ttp -66.81 -14.44 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 10.0 110.473 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -85.51 -17.32 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.878 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -83.83 -24.16 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.9 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 pt -113.96 174.07 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.944 0.402 . . . . 10.0 111.546 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -138.9 149.76 45.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.834 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 67' ' ' ILE . 87.4 m-85 -125.43 139.15 53.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -134.75 150.53 50.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 10.0 111.958 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.2 t80 -140.83 125.99 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.161 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 62.22 21.17 12.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.48 0.657 . . . . 10.0 110.563 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.01 0.03 81.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -112.72 145.49 33.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.687 0.244 . . . . 10.0 110.605 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.14 136.24 43.47 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.432 2.088 . . . . 10.0 111.657 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' A' ' 60' ' ' PHE . 65.0 mt -82.04 137.84 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.227 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -90.08 159.38 16.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.517 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.18 3.26 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.633 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.45 29.32 5.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.206 0.527 . . . . 10.0 110.478 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.0 159.32 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.396 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.18 160.28 69.11 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.624 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.08 -40.73 81.39 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.246 1.964 . . . . 10.0 112.153 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.24 -3.55 43.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.469 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -99.8 -28.21 13.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 10.0 110.333 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt -101.29 11.68 38.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 55.33 46.98 22.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.216 0.531 . . . . 10.0 110.77 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 80.9 mtp -90.41 141.91 28.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.264 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -120.1 -179.4 3.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.78 154.95 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 62.78 30.11 16.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.664 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 172.79 12.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.381 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 m -133.4 132.69 41.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.177 0.513 . . . . 10.0 111.604 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.1 mt -109.86 130.16 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.755 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.89 144.14 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.601 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.2 t -127.32 128.11 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.307 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -124.39 170.0 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.576 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -113.74 142.39 46.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.212 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -76.21 140.51 41.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.482 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -57.93 147.1 29.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.403 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.25 -30.3 21.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.325 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.213 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.897 -0.408 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.2 p -119.32 123.03 43.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.995 -0.682 . . . . 10.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.7 129.0 48.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.301 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.47 127.92 7.11 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 110.778 -0.929 . . . . 10.0 110.778 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 14.2 m -121.1 123.82 43.26 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.29 -0.564 . . . . 10.0 110.52 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.425 HD13 ' CE1' ' A' ' 32' ' ' PHE . 19.1 mt -126.07 131.19 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.686 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.02 127.93 75.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.405 HG13 HG23 ' A' ' 38' ' ' THR . 7.9 pt . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.885 0.374 . . . . 10.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 tt -109.55 142.32 22.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -107.89 137.8 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 10.0 111.394 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 mt -121.82 164.87 16.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.955 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -122.61 136.56 54.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.047 0.451 . . . . 10.0 111.129 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.2 t -100.81 123.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.832 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' HB2' ' CG2' ' A' ' 83' ' ' THR . . . -93.23 104.97 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.021 0.438 . . . . 10.0 111.614 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.89 157.79 27.63 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.449 -1.06 . . . . 10.0 110.449 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -87.76 -6.1 58.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.128 0.464 . . . . 10.0 110.849 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -99.74 -8.41 24.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.86 -10.12 40.71 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.149 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -77.49 136.08 38.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.197 0.498 . . . . 10.0 110.203 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.33 131.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.348 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.0 t -115.62 125.4 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.1 0.476 . . . . 10.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -80.96 113.65 19.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.431 -0.951 . . . . 10.0 108.431 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.03 106.98 19.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.653 -178.518 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -93.16 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.47 166.34 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.611 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' HG13 ' A' ' 34' ' ' ILE . 17.3 mttt -92.39 156.31 17.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -64.7 -23.92 67.41 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -90.86 -8.54 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 10.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.457 HG23 HG13 ' B' ' 202' ' ' ILE . 47.7 m -76.52 119.6 78.05 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.165 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.59 145.28 81.83 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.833 2.355 . . . . 10.0 113.02 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.5 -7.35 49.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -31.34 70.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.383 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -70.46 -30.82 67.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.351 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.8 tt -65.55 -38.43 89.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.285 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -83.21 3.35 31.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.32 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -116.56 -53.57 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.36 -47.02 82.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.918 0.39 . . . . 10.0 111.428 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -71.92 -28.55 63.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.966 0.412 . . . . 10.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.412 ' SG ' HD13 ' A' ' 58' ' ' ILE . 5.3 t -69.42 -43.87 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.334 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.77 -36.46 83.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -62.97 -40.5 97.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.89 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.12 -14.78 58.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.948 0.404 . . . . 10.0 110.696 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.74 62.53 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.011 -0.614 . . . . 10.0 111.945 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.41 167.51 12.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.573 0.225 . . . . 10.0 110.415 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 t -91.48 140.88 29.33 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.2 ttp -61.86 -22.61 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.162 0.506 . . . . 10.0 110.625 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.4 ttt85 -78.84 -11.38 59.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.963 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -94.25 -36.86 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.934 0.397 . . . . 10.0 111.044 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.412 HD13 ' SG ' ' A' ' 48' ' ' CYS . 11.3 pt -97.32 166.85 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.467 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -136.09 142.9 44.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.845 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -117.46 135.51 53.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 10.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -127.17 143.94 51.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.442 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 92.1 t80 -145.97 130.36 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.719 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.24 26.0 15.57 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.425 0.631 . . . . 10.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.91 73.95 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.962 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -111.38 153.47 44.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.822 0.311 . . . . 10.0 110.337 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.13 143.83 32.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.744 2.296 . . . . 10.0 111.669 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.0 mt -88.44 130.89 37.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.765 0.317 . . . . 10.0 110.993 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -94.27 171.9 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.2 11.08 12.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.054 0.455 . . . . 10.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -125.55 28.04 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.237 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -118.79 146.34 44.89 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.42 0.629 . . . . 10.0 112.333 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 p -122.47 161.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.867 -1.06 . . . . 10.0 109.088 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.543 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 40.2 Cg_exo -57.66 -38.9 91.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.419 2.079 . . . . 10.0 111.71 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.68 84.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -62.32 -39.02 91.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.489 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.41 8.84 43.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.804 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 49.25 51.54 16.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.764 0.665 . . . . 10.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.558 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 85.0 mtp -76.56 146.22 38.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.216 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 10.6 mm-40 -121.54 176.49 5.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.268 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 3.8 t70 -72.17 158.5 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.898 -0.779 . . . . 10.0 108.898 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.2 mm-40 70.49 5.38 5.35 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.338 0.399 . . . . 10.0 111.54 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.3 t0 -77.44 145.11 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.416 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 4.3 m -120.21 135.31 55.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.2 mt -107.3 133.33 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.294 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -88.22 135.89 33.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.258 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.86 121.95 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.808 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.3 179.29 4.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.219 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -129.42 143.23 50.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -68.92 141.96 54.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.364 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -57.39 142.93 42.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.707 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -47.25 77.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.998 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' B' ' 196' ' ' THR . 19.8 t70 . . . . . 0 C--O 1.236 0.367 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 196' ' ' THR . . . . . 0.433 ' H ' ' CG ' ' B' ' 195' ' ' ASP . 0.2 OUTLIER -118.04 116.75 27.51 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.385 -0.926 . . . . 10.0 110.532 178.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.1 128.59 40.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.778 -1.101 . . . . 10.0 109.143 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.53 129.76 7.85 Favored Glycine 0 N--CA 1.436 -1.303 0 C-N-CA 119.706 -1.235 . . . . 10.0 110.829 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 74.1 m -122.69 122.89 39.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.869 0.834 . . . . 10.0 110.631 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 43.6 mt -127.34 128.81 70.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.989 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.2 p -122.67 128.27 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.457 HG13 HG23 ' A' ' 38' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.318 -0.789 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 5.3 m80 . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 120.705 0.288 . . . . 10.0 110.4 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.7 tt -103.51 130.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.21 113.89 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.046 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.02 145.87 27.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.053 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -105.9 117.25 33.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.729 0.299 . . . . 10.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 42.1 t -95.0 122.98 46.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.732 -0.84 . . . . 10.0 108.732 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.1 115.3 29.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 10.0 112.068 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.92 165.97 33.56 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.793 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -79.11 -9.82 59.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.071 0.462 . . . . 10.0 110.806 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -91.84 -7.87 48.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.78 4.65 56.86 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.83 -0.7 . . . . 10.0 113.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 p -73.86 145.37 44.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.746 0.308 . . . . 10.0 110.645 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.93 112.8 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.305 0.574 . . . . 10.0 109.759 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 40.7 t -111.69 124.83 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.7 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -95.47 112.44 24.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.788 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' HD13 ' B' ' 200' ' ' ILE . 2.8 m-85 -97.28 109.22 22.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.948 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -93.38 102.12 14.36 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.51 168.8 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.102 -178.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.518 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 26.9 mttt -93.03 154.58 18.04 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -63.41 -24.99 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.631 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -93.66 -2.49 53.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.044 0.45 . . . . 10.0 110.861 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 92.4 m -83.19 119.92 74.95 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.129 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.3 139.93 81.51 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.911 2.407 . . . . 10.0 112.366 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.5 -0.09 14.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.437 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -39.03 93.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.422 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -30.56 67.0 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.346 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 32' ' ' PHE . 3.4 tt -60.41 -45.74 92.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.829 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.5 mtm -68.75 -44.92 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.738 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.354 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.49 81.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 10.0 111.577 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -70.84 -38.23 73.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.062 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 p -67.05 -35.05 79.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.788 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -69.49 -38.73 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.709 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -67.6 -34.9 77.93 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.808 0.337 . . . . 10.0 110.614 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.7 -30.63 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.191 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.04 33.45 10.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -127.57 153.79 45.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.58 0.228 . . . . 10.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.2 t -68.56 147.41 52.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.245 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.4 ttp -65.5 -18.78 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.112 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -81.79 -16.35 51.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 10.0 110.766 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.14 -30.14 26.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 10.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 pt -93.02 153.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.09 113.22 15.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.052 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -94.8 133.19 38.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.928 0.394 . . . . 10.0 111.214 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.04 148.63 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 23.1 t80 -144.37 125.56 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.115 178.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 62.0 29.96 17.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.496 0.665 . . . . 10.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.45 -13.62 45.42 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.507 -0.769 . . . . 10.0 113.004 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.9 mm-40 -101.92 138.53 19.82 Favored Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 122.749 -0.265 . . . . 10.0 110.74 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 37.7 Cg_exo -61.32 144.32 98.47 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.553 2.169 . . . . 10.0 111.464 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.4 mt -84.64 139.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.06 0.457 . . . . 10.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.74 176.93 8.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.211 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -99.85 0.83 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.407 . . . . 10.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.66 50.14 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.678 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.54 150.93 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 10.0 111.488 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -122.87 160.5 48.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.619 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.88 -31.04 93.23 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.221 1.947 . . . . 10.0 111.44 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.85 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.082 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -75.23 -29.18 60.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 10.0 111.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.01 -1.93 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.743 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 57.66 51.95 8.85 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.779 0.674 . . . . 10.0 110.996 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.8 mtp -94.01 152.53 18.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -119.47 176.06 5.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.52 153.57 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.484 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 66.72 30.95 7.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.037 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -85.84 156.23 20.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.0 m -113.85 124.17 51.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.398 0.618 . . . . 10.0 112.117 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -105.3 132.58 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.558 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.96 137.38 35.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.806 0.336 . . . . 10.0 111.347 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -124.44 113.78 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.619 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -113.22 -172.79 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -129.92 145.51 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 10.0 110.712 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -68.22 136.36 53.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.68 133.9 55.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.104 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -21.53 43.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.646 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.261 -179.877 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.31 124.21 47.25 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.477 0.656 . . . . 10.0 111.594 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.05 128.11 48.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.192 -0.913 . . . . 10.0 109.766 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.75 131.59 8.58 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 2.7 m -119.34 124.43 46.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.91 0.855 . . . . 10.0 109.619 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 3.3 mt -125.07 130.72 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.8 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.97 127.7 75.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 176.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.493 HD13 HG22 ' B' ' 202' ' ' ILE . 8.7 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 10.0 110.956 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 m80 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.664 0.269 . . . . 10.0 110.277 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 tt -102.12 131.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.32 117.69 34.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.853 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.73 155.42 24.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.265 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -110.16 154.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.891 0.377 . . . . 10.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -113.46 115.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.701 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 85' ' ' ASP . . . -84.68 99.25 10.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.951 0.405 . . . . 10.0 110.729 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.4 166.17 39.78 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.62 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -94.63 -5.22 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.078 0.466 . . . . 10.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.73 -35.27 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.47 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.49 -28.13 2.79 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.457 -0.877 . . . . 10.0 112.724 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.6 p -62.43 145.05 55.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.091 0.472 . . . . 10.0 110.795 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.1 p -131.25 136.17 58.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.78 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 16.1 t -116.85 118.16 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.189 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -73.8 112.61 10.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -88.56 102.49 14.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.62 -178.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -92.1 100.16 12.84 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -133.8 167.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.804 -179.151 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -93.41 153.62 18.4 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.143 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -63.92 -17.83 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.861 0.362 . . . . 10.0 111.261 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -103.57 10.53 36.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 10.0 111.079 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 88.7 m -95.0 128.39 39.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.165 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.25 139.72 72.58 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.987 2.458 . . . . 10.0 112.834 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 ' SD ' ' A' ' 78' ' ' MET . 31.5 mt -76.05 -10.79 59.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.992 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 p -60.29 -33.89 72.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.042 0.448 . . . . 10.0 110.083 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -64.39 -34.8 79.02 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.158 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -56.72 -44.58 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.028 -179.144 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.515 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 72.2 mtm -71.87 -49.53 37.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.103 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -63.48 -52.85 59.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.91 90.8 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -72.67 -37.95 67.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.254 -0.179 . . . . 10.0 111.044 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.8 t -62.69 -34.28 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 10.0 110.525 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -65.21 -33.77 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.791 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -71.04 -33.41 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 10.0 109.965 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -78.8 -28.82 44.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.439 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.71 36.99 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -121.18 169.68 10.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.676 0.274 . . . . 10.0 110.278 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.9 t -82.56 144.28 30.47 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.98 -20.12 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 10.0 110.602 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -87.56 -7.99 56.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -86.01 -24.31 26.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.364 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 pt -119.45 172.2 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 10.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -138.97 145.97 40.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -113.67 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -126.92 142.85 51.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.71 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 40.5 t80 -133.76 118.85 18.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.19 13.41 8.72 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.612 0.72 . . . . 10.0 110.453 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.84 -10.89 60.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.812 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -96.71 138.67 21.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.75 131.69 21.78 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.276 1.984 . . . . 10.0 111.62 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.2 mt -84.97 140.18 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.347 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -103.79 167.7 9.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.783 0.325 . . . . 10.0 110.227 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -74.36 -5.31 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.882 0.372 . . . . 10.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.83 22.23 16.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.584 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.27 151.34 23.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 111.29 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.69 162.8 52.55 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.687 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 54.2 Cg_exo -53.31 -46.03 36.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.682 2.255 . . . . 10.0 112.662 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -20.94 58.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 10.0 111.214 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -71.71 -33.1 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.238 0.542 . . . . 10.0 110.221 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.6 mt -102.96 4.01 36.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.661 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 56.07 41.31 29.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.8 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 55.5 mtp -75.54 145.27 41.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.76 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -120.76 -177.05 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.577 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 5.2 t70 -75.62 159.64 30.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.7 mm-40 73.09 3.15 4.59 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.458 0.474 . . . . 10.0 111.243 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.47 151.48 34.65 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -126.43 136.45 52.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.41 . . . . 10.0 111.874 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.85 134.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 8.1 m-20 -91.01 137.52 32.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 10.0 111.268 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.03 125.74 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -126.43 160.48 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.857 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.41 149.47 23.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -84.66 133.15 34.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.9 0.381 . . . . 10.0 110.109 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -61.68 143.05 56.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.554 -0.748 . . . . 10.0 111.546 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.57 -19.07 20.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.034 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.371 -179.72 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -118.88 126.14 51.12 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.402 -0.519 . . . . 10.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.84 129.67 52.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . 0.582 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.63 133.47 9.48 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.26 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.6 m -117.24 124.04 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.524 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 7.4 tt -126.11 129.65 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.949 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.3 p -123.05 128.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 121.727 -0.608 . . . . 10.0 111.399 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.424 HD13 HG22 ' B' ' 202' ' ' ILE . 4.0 pt . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.741 0.305 . . . . 10.0 110.391 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.2 tt -98.02 127.29 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.864 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -90.28 104.28 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.106 0.479 . . . . 10.0 111.133 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.07 156.07 17.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.637 -0.711 . . . . 10.0 109.364 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -122.59 138.7 54.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 10.0 112.029 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.31 118.59 57.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.471 -0.786 . . . . 10.0 108.938 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.67 113.75 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.94 0.4 . . . . 10.0 111.062 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.57 168.89 30.99 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.867 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -70.49 -19.38 62.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.108 0.48 . . . . 10.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.59 -28.33 56.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.239 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.69 -13.46 32.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.647 -0.787 . . . . 10.0 111.519 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.57 121.46 16.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.72 134.26 38.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 10.0 110.838 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.44 124.48 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.99 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -87.5 115.82 25.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -93.28 111.02 22.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.945 -179.026 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -97.15 102.96 14.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -135.86 164.39 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.336 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 34' ' ' ILE . 12.0 mttp -86.5 153.52 21.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -69.46 -5.45 23.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.511 0.559 . . . . 10.0 112.511 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -118.42 14.01 13.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.439 0.637 . . . . 10.0 110.119 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.5 m -95.66 125.04 50.78 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 144.63 56.18 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.898 2.398 . . . . 10.0 112.767 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.05 -1.6 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.74 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -39.45 91.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 10.0 110.333 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.461 ' HB2' ' CD1' ' B' ' 202' ' ' ILE . 0.3 OUTLIER -69.3 -32.69 71.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.215 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 1.5 tt -62.84 -35.81 81.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.996 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 69.2 mtm -81.51 -30.0 33.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.796 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -90.04 -40.56 12.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.39 72.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.19 -32.11 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 10.0 110.368 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' MET . 19.4 t -64.73 -44.39 90.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.33 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -65.34 -35.96 82.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.974 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -61.55 -37.83 85.23 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.12 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -79.75 -20.33 46.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.56 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.48 33.16 35.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.217 -0.516 . . . . 10.0 112.647 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.9 mt -122.51 173.9 7.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.688 0.28 . . . . 10.0 110.568 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -89.95 143.02 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.191 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.9 ttp -65.98 -19.62 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.926 0.393 . . . . 10.0 110.44 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -82.84 -10.83 58.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -89.59 -27.1 20.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 10.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.0 pt -112.17 169.09 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.13 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -140.33 143.06 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.877 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -117.6 133.72 55.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -129.6 138.61 51.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.985 0.421 . . . . 10.0 111.522 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -131.04 129.15 41.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.839 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.2 23.03 13.57 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.54 0.686 . . . . 10.0 109.963 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.38 1.86 90.27 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.388 -0.823 . . . . 10.0 112.832 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -108.76 141.05 22.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.65 0.225 . . . . 10.0 110.753 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.59 131.14 23.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.702 2.268 . . . . 10.0 111.859 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -84.49 140.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -102.97 -177.88 3.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.439 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.18 12.56 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.83 0.348 . . . . 10.0 111.324 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 p -131.7 37.16 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.992 0.425 . . . . 10.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.07 153.06 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.14 0.495 . . . . 10.0 111.445 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.416 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -128.2 163.0 46.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.54 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 53.1 Cg_exo -55.48 -46.52 31.67 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.519 2.146 . . . . 10.0 112.076 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.79 75.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.755 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.416 ' HB3' ' H ' ' A' ' 72' ' ' THR . 43.0 tp60 -64.2 -38.43 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.22 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.1 mt -93.97 6.4 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 58.22 43.22 20.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.062 0.458 . . . . 10.0 110.592 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 74.3 mtp -85.62 142.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.788 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -121.73 177.79 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.168 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 10.5 t70 -68.06 146.81 53.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.254 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.5 mm-40 78.26 3.07 2.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.534 0.734 . . . . 10.0 112.2 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.35 142.75 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.313 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -113.53 142.96 45.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.034 0.445 . . . . 10.0 111.703 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.4 mt -115.51 133.98 60.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.754 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -86.79 142.49 28.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 10.0 111.109 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.6 t -112.8 120.7 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.386 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -119.18 169.55 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.372 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -120.2 159.74 24.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.016 -0.365 . . . . 10.0 110.016 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -85.26 145.16 27.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.758 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -67.58 141.37 56.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.849 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -44.24 46.19 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 10.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.424 179.642 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 p -117.58 122.72 44.4 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.909 0.862 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.85 127.87 46.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.692 -1.14 . . . . 10.0 109.093 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.03 130.39 8.21 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 111.044 -0.823 . . . . 10.0 111.044 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.0 m -118.18 122.78 43.89 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.52 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 13.4 tt -125.6 128.72 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.818 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.4 128.34 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 121.79 -0.569 . . . . 10.0 111.868 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.481 HG22 HD13 ' B' ' 202' ' ' ILE . 12.9 pt . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m80 . . . . . 0 C--O 1.236 0.391 0 CA-C-O 121.053 0.454 . . . . 10.0 110.151 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 34' ' ' ILE . 20.1 tt -108.48 128.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.18 101.99 14.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.977 0.417 . . . . 10.0 110.711 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.1 mt -94.6 155.54 16.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.46 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -118.05 126.66 52.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.125 0.488 . . . . 10.0 111.692 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 93.7 t -91.63 131.56 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.706 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.24 103.31 12.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 143.72 20.23 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.438 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.58 -17.18 62.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 10.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.89 -0.14 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.758 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.47 35.27 7.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.845 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -107.21 139.99 40.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.37 125.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.204 0.526 . . . . 10.0 110.308 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 38.6 t -122.05 124.35 71.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -87.15 110.44 20.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.221 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.481 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.6 113.01 24.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.034 0.445 . . . . 10.0 110.675 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -101.94 101.6 12.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.414 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -136.39 167.69 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 34' ' ' ILE . 37.5 mttt -88.94 158.31 18.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.861 0.363 . . . . 10.0 110.393 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -69.12 -21.89 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.527 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -90.27 -8.44 50.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.258 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.421 HG23 HG13 ' B' ' 202' ' ' ILE . 91.4 m -79.43 124.15 84.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.405 -0.816 . . . . 10.0 111.779 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.09 143.24 99.87 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.847 2.365 . . . . 10.0 112.228 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.7 mt -76.58 -6.72 53.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.71 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -61.05 -46.35 91.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -28.94 69.15 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 10.0 tt -68.11 -52.22 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.04 -43.42 86.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.179 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -73.76 -38.89 64.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.002 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.91 71.37 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.871 0.367 . . . . 10.0 111.646 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -63.8 -37.44 87.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.0 t -67.93 -42.34 81.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.62 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.68 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.466 . . . . 10.0 109.94 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -70.02 -33.17 71.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.481 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.96 -30.96 50.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.322 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.42 44.7 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.076 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -143.52 -173.16 3.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.9 t -100.7 144.11 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.303 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 ttp -65.78 -21.2 66.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.101 0.477 . . . . 10.0 110.717 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -77.78 -12.67 60.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.16 0.505 . . . . 10.0 110.458 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -87.33 -8.15 57.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.426 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 58' ' ' ILE . 7.5 pt -134.0 171.34 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.368 . . . . 10.0 111.137 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -136.51 133.92 37.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -104.27 133.74 48.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.848 0.356 . . . . 10.0 110.089 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.66 142.58 51.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.724 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 81.7 t80 -136.54 120.46 17.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.427 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.19 14.91 9.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.485 0.66 . . . . 10.0 110.859 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -0.64 59.42 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.258 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -115.58 148.55 41.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.487 0.184 . . . . 10.0 110.864 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.73 153.7 68.75 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.591 2.194 . . . . 10.0 112.242 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.9 mt -104.32 135.53 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.922 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -94.84 158.86 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.47 25.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.731 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.39 18.9 2.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.38 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -100.46 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.262 0.553 . . . . 10.0 111.618 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.413 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -130.41 159.74 69.23 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 10.0 109.165 178.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 50.8 Cg_exo -55.22 -44.8 45.66 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.413 2.076 . . . . 10.0 112.016 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.33 -32.8 73.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.498 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.413 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 24.6 tp60 -68.38 -33.43 74.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.678 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.29 6.05 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.64 -0.254 . . . . 10.0 111.428 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 61.45 36.64 17.13 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.509 0.506 . . . . 10.0 110.741 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.3 mtp -77.47 142.15 39.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.179 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 6.1 mm-40 -122.68 175.61 6.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.799 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 9.1 t70 -61.72 137.18 58.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.363 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 6.6 mm-40 75.83 15.24 2.57 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 124.026 0.829 . . . . 10.0 111.952 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -68.39 140.49 55.84 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -104.35 129.72 52.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.05 127.48 69.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.201 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -94.02 135.17 35.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 10.0 111.221 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 128.85 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.981 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.82 158.82 29.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.576 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -92.6 151.74 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.058 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -82.77 145.32 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -66.74 139.02 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 10.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.57 -37.42 27.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.677 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.194 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.368 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 121.06 39.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 119.728 -0.789 . . . . 10.0 111.176 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.5 125.21 42.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.638 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.37 132.5 8.56 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.037 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 18.5 m -119.16 123.39 44.27 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 117.95 0.875 . . . . 10.0 109.681 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.407 HD12 HG21 ' B' ' 200' ' ' ILE . 29.9 mt -126.33 130.81 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.731 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -121.74 130.12 74.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.421 HG13 HG23 ' A' ' 38' ' ' THR . 8.6 pt . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.8 m80 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.746 0.308 . . . . 10.0 110.606 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.0 tt -125.95 141.15 46.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -107.55 104.81 14.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.22 0.533 . . . . 10.0 111.27 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 mt -99.83 166.49 11.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.316 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 83' ' ' THR . 95.8 mttt -136.57 137.52 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.318 0.58 . . . . 10.0 111.993 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 48.6 t -114.16 129.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.66 116.91 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.581 -0.282 . . . . 10.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.54 165.61 52.9 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.865 -0.684 . . . . 10.0 111.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.83 -11.31 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 10.0 111.318 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.14 -14.09 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.67 -8.15 29.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.652 -0.785 . . . . 10.0 113.325 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.7 p -63.25 141.84 58.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.18 126.2 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.239 0.542 . . . . 10.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 61.8 t -112.18 122.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.637 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -88.94 118.01 28.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.332 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.25 106.33 17.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.937 0.399 . . . . 10.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -98.72 98.27 9.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -134.57 174.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.866 -178.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 34' ' ' ILE . 28.0 mttt -95.0 159.54 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -65.79 -23.25 66.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.495 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -94.69 -1.02 53.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 111.346 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.476 HG22 HG13 ' B' ' 202' ' ' ILE . 55.5 m -78.56 122.68 85.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.06 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.89 136.03 65.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.829 2.353 . . . . 10.0 112.459 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.49 -9.63 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -62.67 -35.78 80.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.389 . . . . 10.0 110.331 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -69.2 -30.32 68.48 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.208 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.89 -49.52 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.9 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 56.4 mtm -62.49 -43.9 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.49 -43.68 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.77 71.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.818 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.84 -34.11 64.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.82 0.343 . . . . 10.0 110.79 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 44' ' ' MET . 2.3 t -67.2 -39.96 86.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.67 -32.95 74.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.511 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 66.3 mtt180 -69.46 -26.17 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.674 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -92.08 -14.67 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.283 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.94 38.36 84.66 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.488 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.1 mt -129.26 165.59 21.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 10.0 110.666 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -74.47 139.6 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 10.0 110.408 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.2 ttp -68.26 -23.65 64.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -74.98 -12.45 60.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.17 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -86.48 -13.24 46.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.105 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.6 pt -120.51 171.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 10.0 111.701 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -138.43 128.01 24.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.871 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -102.16 130.29 48.75 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -127.02 136.08 51.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.245 0.545 . . . . 10.0 111.134 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -132.03 128.37 38.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.068 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.67 22.02 12.95 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.758 0.79 . . . . 10.0 109.795 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.66 -2.34 87.27 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.96 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -111.22 141.43 24.33 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.927 0.363 . . . . 10.0 110.831 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.72 138.73 71.03 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.47 2.113 . . . . 10.0 111.281 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.1 mt -88.94 139.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.8 0.333 . . . . 10.0 110.87 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.9 162.1 13.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.883 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.32 5.27 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.191 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 11.0 13.97 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -106.75 163.81 12.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 10.0 111.881 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.96 163.68 48.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.504 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.53 -42.62 63.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.334 2.023 . . . . 10.0 111.653 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.71 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.86 -37.82 87.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 10.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.81 0.84 56.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.63 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 56.64 47.65 18.0 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.556 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.0 mtp -78.56 159.78 27.96 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.267 -0.879 . . . . 10.0 111.38 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.44 -179.97 5.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.892 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.91 155.86 37.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.65 20.32 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.556 0.535 . . . . 10.0 111.027 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.15 121.45 25.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.342 -0.39 . . . . 10.0 109.952 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -91.26 133.3 35.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.923 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.66 131.68 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.409 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -93.92 137.38 33.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.064 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.8 120.31 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -115.14 158.75 21.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.597 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -96.6 141.86 29.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.672 0.273 . . . . 10.0 110.654 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -72.69 143.67 48.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -58.44 144.77 40.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.15 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -132.16 78.5 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.515 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.325 -179.543 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.84 122.75 42.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.187 -0.605 . . . . 10.0 110.373 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.14 129.51 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.7 129.48 7.88 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.401 -1.08 . . . . 10.0 110.401 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 55.2 m -122.04 124.43 43.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.206 1.003 . . . . 10.0 110.826 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.454 HG12 ' CZ ' ' A' ' 50' ' ' ARG . 31.0 mt -125.08 129.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.246 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -121.69 126.59 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.494 HD13 HG22 ' B' ' 202' ' ' ILE . 5.5 pt . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 120.986 0.422 . . . . 10.0 110.181 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 m80 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.685 0.279 . . . . 10.0 110.543 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.2 tt -95.5 138.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -95.39 111.0 22.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.025 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.44 153.36 23.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.116 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -116.87 133.34 56.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.928 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 35.9 t -101.12 124.25 54.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.446 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.98 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.907 0.384 . . . . 10.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.8 156.73 23.21 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.787 -0.721 . . . . 10.0 111.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -72.8 -32.91 65.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.607 0.241 . . . . 10.0 111.187 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.36 -15.46 37.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.354 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.88 -10.29 15.72 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.37 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 p -56.87 129.98 43.81 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.026 0.413 . . . . 10.0 110.723 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.43 124.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.531 0.682 . . . . 10.0 110.719 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 99.2 t -120.61 127.76 75.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.83 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -93.52 124.86 37.8 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.02 122.42 45.2 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.127 0.489 . . . . 10.0 111.758 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -102.43 109.5 21.16 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CG1' ' HB ' ' A' ' 38' ' ' THR . 7.1 tt -142.22 159.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.866 -178.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.546 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 24.3 mttp -93.52 170.57 9.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.907 0.384 . . . . 10.0 110.19 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -68.93 -32.61 72.34 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -91.28 -6.63 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.546 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 3.6 m -77.32 123.05 86.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.518 0.199 . . . . 10.0 111.503 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.87 145.64 98.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.681 2.254 . . . . 10.0 112.689 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.81 -5.1 49.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.32 -47.68 84.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.479 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -28.52 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.251 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.39 -45.62 90.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.595 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 72.0 mtm -68.72 -41.7 78.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.032 0.444 . . . . 10.0 110.606 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.29 -46.75 69.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 10.0 112.447 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' ARG . . . -54.2 -48.93 70.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 10.0 111.609 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 85.2 t80 -67.82 -40.59 83.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.884 0.373 . . . . 10.0 110.583 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.1 t -63.52 -43.35 97.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.652 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.41 -37.29 85.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 86.0 mtt180 -69.14 -23.18 63.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.163 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 8.8 mm100 -85.49 -15.38 43.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.182 0.515 . . . . 10.0 109.751 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.68 40.66 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.631 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.2 mt -130.76 172.87 11.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.926 0.393 . . . . 10.0 110.943 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 t -90.1 144.18 26.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.385 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.2 ttp -64.06 -15.46 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 10.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 ttt85 -82.76 -15.68 50.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.671 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -83.56 -34.22 25.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.64 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.45 168.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.06 0.457 . . . . 10.0 111.57 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -131.7 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.792 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.92 126.99 45.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.384 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -125.73 144.64 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.297 0.57 . . . . 10.0 111.61 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -132.02 123.98 28.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.459 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 64.61 19.47 11.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.608 0.718 . . . . 10.0 110.36 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.87 -10.12 70.43 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.663 -0.699 . . . . 10.0 113.03 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.9 143.2 27.11 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.873 0.336 . . . . 10.0 110.64 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.2 140.72 96.15 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.818 2.345 . . . . 10.0 112.121 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.9 mt -81.91 127.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.015 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -71.49 148.77 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.415 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.85 -9.17 58.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 10.0 112.137 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.56 27.12 8.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.116 0.484 . . . . 10.0 111.029 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.44 159.39 15.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.544 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.67 159.97 61.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.141 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.52 -43.09 48.4 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.553 2.168 . . . . 10.0 111.789 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.37 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.321 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -77.33 -30.54 54.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.689 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.93 1.44 57.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.239 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 60.03 36.33 21.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.797 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.5 mtp -70.82 145.93 50.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.299 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 7.7 mm-40 -113.59 176.95 4.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -72.34 140.54 48.54 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.2 mt-10 75.71 10.49 3.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.941 0.776 . . . . 10.0 111.062 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -64.53 140.14 58.84 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -105.96 135.79 46.77 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.4 mt -108.65 132.9 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.8 136.73 33.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.916 0.389 . . . . 10.0 111.693 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -118.18 118.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.938 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -116.71 172.74 7.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -117.98 145.99 44.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.661 0.267 . . . . 10.0 110.721 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -79.69 138.17 37.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.064 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -64.93 132.63 49.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.135 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -26.73 62.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 10.0 110.781 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.78 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 24.4 m -118.68 127.41 53.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.896 0.379 . . . . 10.0 111.1 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.7 128.26 50.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.419 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.85 132.29 8.61 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.734 -0.546 . . . . 10.0 111.734 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 48.6 m -119.58 125.09 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.946 0.873 . . . . 10.0 110.512 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 36.8 mt -124.54 129.54 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.944 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.43 129.27 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 4.9 pt . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.201 0.524 . . . . 10.0 110.272 179.235 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.213 -0.291 . . . . 10.0 110.213 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.404 ' NE2' ' HE3' ' A' ' 35' ' ' LYS . 79.9 m80 -100.82 152.19 20.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.7 tt -105.4 123.43 59.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -90.81 107.23 19.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.289 0.566 . . . . 10.0 111.157 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -98.24 161.93 13.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.234 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.2 mttt -128.8 140.59 51.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 10.0 111.581 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 63.9 t -113.89 125.99 71.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.69 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.352 . . . . 10.0 110.897 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.76 158.4 52.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.753 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -75.64 -4.73 41.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.334 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -99.8 -30.31 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 10.0 109.928 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -14.96 5.35 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -61.79 137.43 58.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.181 0.515 . . . . 10.0 111.031 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -109.28 127.07 66.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.204 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 5.6 t -119.34 122.5 69.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.77 121.59 40.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.528 ' CD2' ' HG ' ' A' ' 43' ' ' LEU . 3.0 m-85 -103.28 116.32 32.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.371 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -97.05 98.19 9.86 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -134.37 172.61 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.74 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.3 mttt -101.08 160.88 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.896 -0.322 . . . . 10.0 110.513 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -65.81 -25.98 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -87.15 -11.64 49.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.293 0.568 . . . . 10.0 110.057 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.474 HG22 HG13 ' B' ' 202' ' ' ILE . 98.5 m -75.89 121.91 85.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.171 -0.922 . . . . 10.0 111.536 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 31.9 Cg_exo -58.64 141.14 97.32 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.924 2.416 . . . . 10.0 112.222 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -76.77 -6.33 51.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.87 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.634 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.51 -27.09 64.89 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 32' ' ' PHE . 8.5 tt -65.63 -47.01 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.609 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 41' ' ' SER . 51.7 mttt -67.59 -46.3 73.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.344 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.15 74.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.702 0.287 . . . . 10.0 111.606 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 t80 -69.49 -40.03 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.335 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.38 -38.73 90.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.946 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 72.9 mm-40 -62.1 -35.36 78.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.93 0.395 . . . . 10.0 110.662 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -73.76 -23.89 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.634 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.1 mm100 -81.49 -30.62 33.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 31.69 25.96 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.44 -0.8 . . . . 10.0 112.591 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 mt -135.91 171.39 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.915 0.388 . . . . 10.0 111.274 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.5 t -76.12 144.18 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.267 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.2 ttp -69.65 -10.74 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.214 0.531 . . . . 10.0 110.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -84.28 -9.82 58.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -88.58 -29.7 19.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 10.0 111.323 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 pt -105.36 167.82 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.379 . . . . 10.0 111.664 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -136.91 133.2 35.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.976 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -104.66 134.3 48.06 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -130.02 139.92 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 10.0 111.443 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -132.46 119.82 21.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.848 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 67.07 25.89 9.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.893 0.854 . . . . 10.0 109.741 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.5 2.46 90.62 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.372 -0.831 . . . . 10.0 112.64 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 60.9 mm-40 -114.5 140.34 25.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 122.767 -0.254 . . . . 10.0 110.452 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.7 Cg_exo -67.76 141.29 53.88 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.54 2.16 . . . . 10.0 111.93 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.92 142.83 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.783 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.12 170.29 8.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.812 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -84.76 21.11 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 10.0 111.281 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 p -129.42 15.17 6.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.129 0.49 . . . . 10.0 110.67 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -104.43 151.68 23.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.501 . . . . 10.0 111.912 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 159.21 73.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.581 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.84 -39.29 88.16 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.36 2.04 . . . . 10.0 112.07 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.87 -10.4 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -95.38 -31.67 13.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 10.0 110.301 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.97 6.5 48.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.267 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 57.8 43.45 21.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.298 0.571 . . . . 10.0 111.202 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.8 mtp -83.66 147.4 27.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.289 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.1 tm-20 -120.83 -177.48 3.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.711 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -68.03 144.07 55.27 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.119 -0.232 . . . . 10.0 110.579 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 10.9 mt-10 72.15 12.83 5.85 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.884 0.74 . . . . 10.0 111.535 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.42 123.75 21.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.5 m -94.8 136.95 34.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.126 0.489 . . . . 10.0 112.094 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.1 mt -112.3 136.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.186 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.16 137.37 32.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.769 0.319 . . . . 10.0 110.793 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.6 t -121.27 114.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -113.0 179.92 3.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.758 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.08 150.94 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.83 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.82 147.29 28.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -71.03 129.83 39.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 p -86.6 12.52 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.383 . . . . 10.0 111.581 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.0 -179.85 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 m -117.83 123.86 46.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.436 0.636 . . . . 10.0 111.534 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.09 130.21 51.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.19 -0.914 . . . . 10.0 109.773 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.75 130.93 8.49 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.658 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 124.11 47.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 117.57 0.685 . . . . 10.0 110.089 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.463 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 12.5 mt -124.61 130.15 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.477 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.57 128.58 76.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.474 HG13 HG22 ' A' ' 38' ' ' THR . 6.5 pt -121.18 133.27 68.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.04 0.448 . . . . 10.0 109.879 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.458 ' HB2' HG23 ' A' ' 38' ' ' THR . 7.8 t70 -115.26 132.38 56.63 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.624 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.314 -179.633 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.231 0 N-CA-C 110.413 -0.217 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -110.58 116.33 31.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.054 0.454 . . . . 10.0 110.592 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 tt -94.79 137.69 22.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.403 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -110.14 103.85 12.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.902 0.382 . . . . 10.0 110.637 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.92 155.28 19.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.638 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -116.56 113.67 23.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -100.23 106.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.53 132.43 52.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.57 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.9 168.07 29.93 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -74.86 -12.72 60.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.031 0.443 . . . . 10.0 111.04 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.26 -30.59 38.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.581 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.89 -10.5 7.47 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.737 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -78.56 136.52 37.55 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.812 0.306 . . . . 10.0 110.26 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.19 129.29 74.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.064 0.459 . . . . 10.0 110.233 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 120.04 61.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.562 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -76.57 123.91 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' B' ' 200' ' ' ILE . 0.7 OUTLIER -102.08 107.01 17.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 -178.102 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -87.85 99.76 12.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.989 -1.115 . . . . 10.0 107.989 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.21 166.49 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.656 -179.181 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 34' ' ' ILE . 48.2 mttt -99.08 156.8 16.75 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -64.52 -20.59 66.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.577 0.227 . . . . 10.0 111.475 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -91.99 -6.85 50.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.092 0.473 . . . . 10.0 110.598 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.418 HG21 ' HB2' ' B' ' 204' ' ' ASP . 42.4 m -79.39 123.74 84.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.259 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 31.8 Cg_exo -59.73 150.97 73.8 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.998 2.465 . . . . 10.0 113.019 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.99 -3.14 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.271 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 p -60.7 -48.48 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 110.276 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -28.24 67.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.213 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.488 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 3.6 tt -64.61 -42.77 95.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.383 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.2 mtm -76.92 -24.0 52.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.699 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -92.09 -41.05 10.71 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.026 0.441 . . . . 10.0 111.339 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -65.53 -35.21 80.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.446 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.41 -40.12 93.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.971 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.43 -28.27 68.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.946 0.403 . . . . 10.0 110.555 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -70.27 -44.18 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.73 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.5 -22.63 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.792 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.69 51.15 5.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.478 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -136.32 179.64 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.98 145.5 25.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.4 ttp -63.26 -19.81 64.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.786 0.327 . . . . 10.0 111.553 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -88.03 -3.43 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.836 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -93.46 -24.05 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 10.0 110.666 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 pt -116.95 157.75 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -128.83 142.91 50.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.512 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -115.36 142.58 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.463 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -131.54 147.16 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.074 0.464 . . . . 10.0 111.455 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 70.1 t80 -145.41 120.8 10.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.323 -0.853 . . . . 10.0 108.94 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 63.14 24.21 14.3 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.626 0.727 . . . . 10.0 110.337 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.1 -3.47 87.06 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.656 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -106.18 152.01 40.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.18 152.51 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.353 2.035 . . . . 10.0 111.419 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.07 130.3 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.001 0.429 . . . . 10.0 110.629 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -101.4 162.24 13.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.87 22.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.2 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.63 17.0 6.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.473 -0.33 . . . . 10.0 111.521 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -119.95 163.65 17.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.124 0.488 . . . . 10.0 112.032 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.2 p -136.87 165.2 36.87 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.945 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.483 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -56.84 -39.34 92.08 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.093 1.862 . . . . 10.0 111.195 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.04 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.037 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -73.22 -32.3 64.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.38 . . . . 10.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.35 -2.56 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 58.57 49.07 10.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.229 0.538 . . . . 10.0 110.399 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.483 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 85.9 mtp -79.95 156.52 27.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.332 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.6 OUTLIER -116.44 175.72 5.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.893 -179.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.04 143.61 55.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.811 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.32 16.67 9.29 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.682 0.614 . . . . 10.0 111.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.77 128.45 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -92.27 130.33 37.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.241 0.543 . . . . 10.0 112.292 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -102.77 134.69 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.167 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.63 139.7 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.82 0.343 . . . . 10.0 111.618 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.8 t -123.87 124.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -128.79 171.16 12.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.226 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -106.44 154.08 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 10.0 110.309 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -81.75 137.08 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.6 111.78 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.205 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.28 63.37 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.352 -179.678 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.44 123.26 44.77 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.586 0.708 . . . . 10.0 110.582 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.17 128.14 47.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.658 -1.156 . . . . 10.0 109.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.57 132.84 9.19 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.695 -0.764 . . . . 10.0 111.769 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 64.0 m -117.98 123.11 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.392 0.596 . . . . 10.0 110.188 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.551 HG21 ' CZ ' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -124.46 130.88 73.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.171 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.22 126.35 74.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.636 -0.425 . . . . 10.0 110.895 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 11.4 pt -123.69 126.03 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.418 ' HB2' HG21 ' A' ' 38' ' ' THR . 9.6 t70 -118.12 123.88 46.67 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.483 0.659 . . . . 10.0 111.145 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.055 0.455 . . . . 10.0 110.891 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 110.005 -0.368 . . . . 10.0 110.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -132.02 120.96 23.13 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.914 0.388 . . . . 10.0 110.082 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.45 136.67 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.836 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -111.08 113.66 26.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 10.0 110.978 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.3 mt -101.61 164.21 11.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.689 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -128.67 104.19 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.641 0.257 . . . . 10.0 110.972 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.04 130.85 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.45 142.49 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.177 0.513 . . . . 10.0 112.261 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.01 166.0 13.36 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.563 -1.015 . . . . 10.0 110.563 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.67 -2.21 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.274 0.537 . . . . 10.0 111.907 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -96.17 -30.04 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.804 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.55 -11.29 7.54 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.29 -0.957 . . . . 10.0 112.954 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 p -64.19 149.74 47.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.831 0.316 . . . . 10.0 110.189 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.14 126.94 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 10.0 110.242 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 2.2 t -118.06 115.66 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.209 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -67.71 122.19 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.397 -0.819 . . . . 10.0 108.809 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.477 ' CZ ' HG23 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -102.47 100.7 10.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -178.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -92.18 104.72 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.81 173.46 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 34' ' ' ILE . 42.4 mttp -97.1 172.6 7.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.56 -16.57 60.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.051 -0.405 . . . . 10.0 111.722 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -105.43 8.44 33.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.993 0.425 . . . . 10.0 110.947 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.458 HG23 HG13 ' B' ' 202' ' ' ILE . 4.4 m -84.85 123.15 74.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.775 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.86 148.6 93.25 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 10.0 112.202 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 94.6 mt -80.54 -1.58 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.346 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -47.15 85.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.988 0.423 . . . . 10.0 110.23 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -28.46 68.19 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.104 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -61.95 -42.41 99.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.748 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.9 mtm -74.74 -41.48 60.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.463 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -71.42 -42.81 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.08 89.08 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.678 0.275 . . . . 10.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.29 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.12 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -62.26 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.429 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.34 -36.69 79.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.475 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -61.89 -38.57 88.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -85.01 -25.26 27.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.466 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.66 42.39 8.38 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.909 -0.662 . . . . 10.0 112.185 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -125.28 -174.41 3.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.068 0.461 . . . . 10.0 110.721 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 t -106.63 139.07 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.389 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttp -64.36 -17.29 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 10.0 111.295 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -84.91 -18.75 33.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 10.0 109.999 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -88.5 -8.5 54.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.982 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.67 168.0 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.023 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -137.73 146.74 44.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.913 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -120.45 133.55 55.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.41 . . . . 10.0 110.697 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.33 144.97 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.057 0.456 . . . . 10.0 111.099 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 77.2 t80 -141.77 123.75 15.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 62.2 26.42 15.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.618 0.574 . . . . 10.0 111.248 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 -4.82 85.64 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.06 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -112.92 144.25 30.7 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.727 0.299 . . . . 10.0 110.672 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.52 133.81 26.92 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.642 2.228 . . . . 10.0 112.174 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.8 mt -81.58 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.471 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.39 178.87 5.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -87.47 -13.87 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 10.0 110.282 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.5 p -105.73 23.48 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.324 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.82 139.18 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.957 0.408 . . . . 10.0 111.507 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.19 158.41 50.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.202 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -42.34 69.75 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.55 2.167 . . . . 10.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.09 59.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.319 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -67.86 -37.41 81.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.214 0.531 . . . . 10.0 110.192 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.14 -2.36 52.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.442 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 54.92 53.06 10.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.865 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 79.9 mtp -82.52 149.5 27.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.24 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -110.4 -171.07 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.76 145.03 36.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 65.24 16.47 10.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.821 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.31 132.48 48.48 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 9.3 m -100.93 123.4 45.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.1 mt -94.73 136.14 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 10.0 108.902 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -91.46 125.98 36.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.866 0.365 . . . . 10.0 111.108 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.77 130.09 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.3 162.77 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.787 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -97.56 148.58 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.381 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -79.97 140.75 36.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -58.14 146.93 31.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.22 -9.76 41.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.229 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.95 125.88 50.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.193 -0.603 . . . . 10.0 110.861 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.75 125.35 46.36 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.026 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.43 133.65 9.33 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -115.77 124.23 50.23 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.484 HG23 HD13 ' B' ' 200' ' ' ILE . 0.0 OUTLIER -122.65 128.5 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.029 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.53 128.78 72.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 122.0 -0.438 . . . . 10.0 111.434 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.458 HG13 HG23 ' A' ' 38' ' ' THR . 9.4 pt -122.21 126.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.455 -0.943 . . . . 10.0 108.455 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -119.99 125.81 49.28 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--O 1.237 0.429 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.358 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--O 1.233 0.226 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.417 ' NE2' ' HE2' ' A' ' 35' ' ' LYS . 43.4 m80 -93.88 130.86 39.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.478 . . . . 10.0 111.016 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.9 tt -108.58 131.91 57.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.285 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -98.74 124.68 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.073 0.464 . . . . 10.0 111.176 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt -115.31 148.1 39.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.181 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -106.95 122.38 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.028 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.64 129.78 39.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.29 19.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 10.0 111.413 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.76 150.9 20.56 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.118 -0.563 . . . . 10.0 111.708 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -74.33 -6.05 45.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.785 0.326 . . . . 10.0 111.669 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.3 -19.03 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.096 0.474 . . . . 10.0 110.541 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -6.05 24.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.953 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -73.26 131.27 41.75 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 117.23 0.515 . . . . 10.0 109.612 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -110.17 129.63 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.203 0.525 . . . . 10.0 110.83 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -118.8 126.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.507 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -92.87 115.49 28.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.388 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.85 116.39 29.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -100.98 96.05 6.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.33 169.05 19.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.414 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.581 ' HZ2' ' P ' ' B' ' 203' ' ' SEP . 14.0 mtmt -95.11 154.83 16.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -65.46 -28.5 69.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.978 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -91.67 9.67 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 10.0 111.647 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.4 m -102.08 123.6 42.91 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.735 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.65 145.7 58.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.248 2.632 . . . . 10.0 112.836 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.4 -1.59 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.122 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.99 -44.4 91.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -29.46 62.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.306 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.05 -40.01 96.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.059 0.457 . . . . 10.0 110.519 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.2 mtm -75.97 -38.98 56.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.421 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.04 -51.36 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.116 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.95 79.58 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 10.0 110.496 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 55' ' ' MET . 8.0 t -71.52 -29.28 64.61 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -63.57 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.448 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.454 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.6 -30.99 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.02 27.55 37.12 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.793 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.4 mt -137.17 170.76 15.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.705 0.288 . . . . 10.0 110.875 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.39 138.68 41.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.342 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.497 ' HA ' ' SG ' ' A' ' 48' ' ' CYS . 40.3 ttp -65.5 -20.74 66.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.075 0.464 . . . . 10.0 110.809 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -77.52 -12.48 59.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.972 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -80.15 -29.25 38.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 10.0 111.021 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 pt -113.07 171.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.368 . . . . 10.0 111.468 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -130.97 146.86 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.059 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -117.85 131.48 56.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.309 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -126.67 151.28 48.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 10.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 69.6 t80 -148.63 124.92 10.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.173 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t0 64.92 21.93 12.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.533 0.682 . . . . 10.0 109.805 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.65 -7.85 80.82 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.817 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 59.9 mm-40 -106.08 147.24 34.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 122.603 -0.351 . . . . 10.0 110.89 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 7.6 Cg_exo -72.26 130.7 16.71 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.757 2.305 . . . . 10.0 112.458 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mt -77.85 137.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -105.17 165.2 11.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -70.29 -12.26 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.76 20.19 19.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.347 . . . . 10.0 111.385 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -96.66 146.04 25.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.144 0.497 . . . . 10.0 111.344 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.11 157.42 76.01 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.893 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.83 -41.93 70.18 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.315 2.01 . . . . 10.0 111.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.13 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.702 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.54 -39.19 38.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 10.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.1 mt -91.98 8.24 38.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 55.28 45.4 25.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.391 0.615 . . . . 10.0 110.567 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 58.8 mtp -78.77 155.69 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.384 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.89 176.16 8.94 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.247 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.4 t70 -65.72 145.75 55.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.85 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 20.7 mt-10 73.27 17.96 3.85 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.89 0.743 . . . . 10.0 111.78 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 153.01 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 m -110.79 124.56 52.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.341 0.591 . . . . 10.0 112.09 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.8 mt -99.36 121.03 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.759 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.31 124.56 35.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.21 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.27 128.01 68.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.057 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -125.98 179.15 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.374 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -118.12 161.71 19.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.742 0.306 . . . . 10.0 110.619 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -94.32 138.56 32.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.346 -0.388 . . . . 10.0 109.954 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.13 124.22 19.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.239 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -3.09 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.311 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.531 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.872 179.694 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.1 m -117.5 123.24 45.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.45 0.643 . . . . 10.0 111.538 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.63 128.48 46.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.026 -0.988 . . . . 10.0 110.09 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.36 131.46 8.14 Favored Glycine 0 C--O 1.22 -0.746 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.412 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.18 124.27 46.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.056 0.928 . . . . 10.0 110.001 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 18.9 mt -126.6 130.27 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.059 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.79 131.25 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 122.176 -0.328 . . . . 10.0 110.154 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 13.7 pt -120.51 128.21 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.476 -0.489 . . . . 10.0 110.339 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.581 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -129.51 130.7 46.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.354 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.744 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.618 0.247 . . . . 10.0 110.59 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -119.72 135.95 54.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.457 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 tt -96.65 124.22 49.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -92.48 121.57 34.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.034 0.445 . . . . 10.0 110.717 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -115.0 143.63 44.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -103.81 126.97 51.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 10.0 111.379 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.7 t -90.13 121.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.81 98.45 10.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.754 0.312 . . . . 10.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.24 148.94 28.7 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.911 -0.876 . . . . 10.0 110.911 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -67.3 -13.53 62.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 10.0 111.413 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -88.85 -12.77 40.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.745 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.15 -4.3 44.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.458 -0.877 . . . . 10.0 114.121 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 p -74.7 160.62 30.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 117.636 0.718 . . . . 10.0 111.065 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.57 130.56 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.236 0.541 . . . . 10.0 111.049 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 27.9 t -118.06 121.99 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.883 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -87.82 107.84 18.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.793 -0.64 . . . . 10.0 109.653 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' B' ' 200' ' ' ILE . 1.2 m-85 -94.18 109.28 21.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -94.73 99.22 11.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.14 162.53 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.358 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' O ' HG13 ' A' ' 34' ' ' ILE . 65.2 mttt -88.85 167.36 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.716 0.293 . . . . 10.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -73.8 -18.96 60.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -92.0 -20.7 21.07 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.733 -0.387 . . . . 10.0 111.474 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.51 120.67 64.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.285 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.62 142.34 98.66 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.683 2.255 . . . . 10.0 111.554 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.23 -4.99 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.782 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.29 -33.36 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -66.91 -38.52 86.38 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.415 -0.812 . . . . 10.0 109.182 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.68 -27.13 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.042 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 77.5 mtm -85.11 -5.53 59.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.139 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -117.22 -34.88 4.2 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.76 -59.24 4.87 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.924 0.712 . . . . 10.0 112.924 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -69.68 -30.92 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.008 0.432 . . . . 10.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.77 -42.81 98.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.362 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.31 -30.67 68.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.325 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.48 -40.17 81.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 10.0 110.034 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -79.82 -20.12 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.33 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.69 31.91 48.01 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.582 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.5 mt -107.4 175.53 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.529 . . . . 10.0 110.999 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -94.36 142.52 27.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.03 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.8 ttp -69.64 -14.84 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 10.0 109.855 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.34 -12.67 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.735 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -82.44 -32.77 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.628 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 pt -110.01 168.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.399 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -133.86 142.95 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.804 -0.634 . . . . 10.0 109.92 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -116.8 125.31 51.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.574 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . 79.7 mtt180 -122.86 146.28 47.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.45 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 9.4 t80 -137.9 113.2 9.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.696 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 60.9 40.8 15.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.902 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.9 -40.74 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.723 . . . . 10.0 113.473 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.6 mm-40 -89.42 133.62 34.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.986 0.393 . . . . 10.0 111.354 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 61' ' ' ARG . 24.4 Cg_exo -64.08 149.96 89.33 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.968 2.445 . . . . 10.0 112.119 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.9 mt -88.37 129.13 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.828 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -89.87 163.06 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -83.16 22.95 0.92 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.59 29.3 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.768 0.318 . . . . 10.0 111.6 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -126.68 152.34 46.88 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 111.59 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.7 p -119.02 164.95 18.43 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.929 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.714 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -57.52 -38.18 94.79 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.435 2.09 . . . . 10.0 111.864 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.5 -33.85 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.561 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -64.03 -36.21 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.48 0.45 56.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.124 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 55.99 51.16 12.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.126 0.488 . . . . 10.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.714 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 38.4 mtp -82.61 156.15 24.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.183 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -110.99 172.9 6.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.37 145.72 37.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 62.65 38.23 12.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.28 -177.67 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.63 . . . . 10.0 109.422 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -125.44 138.98 54.02 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.36 129.85 70.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.227 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.25 128.69 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 10.0 111.345 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.93 112.62 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.389 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -113.99 173.81 6.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.399 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -118.06 144.85 45.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.435 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -73.05 143.04 47.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.16 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -60.34 126.89 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.366 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 3.64 54.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.342 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.058 -0.592 . . . . 10.0 111.99 179.689 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 6.7 m -118.13 125.64 50.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.347 0.594 . . . . 10.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.38 128.79 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.462 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.55 131.49 8.58 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.817 -0.913 . . . . 10.0 110.817 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.7 m -117.76 123.68 46.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.815 0.807 . . . . 10.0 110.257 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.511 HD13 ' CE1' ' A' ' 32' ' ' PHE . 22.6 mt -125.47 131.35 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.083 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.0 p -122.74 126.69 74.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -123.33 131.14 73.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.449 ' P ' ' HZ1' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -122.78 134.96 54.41 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 114.908 -1.042 . . . . 10.0 110.41 -179.549 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.808 0.337 . . . . 10.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -89.28 154.34 20.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.3 tt -128.58 138.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 55.0 m-80 -103.6 130.86 51.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.991 0.425 . . . . 10.0 111.13 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.9 mt -116.58 163.81 15.53 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 83' ' ' THR . 98.5 mttt -118.54 135.18 54.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.389 0.614 . . . . 10.0 112.23 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.57 117.7 52.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.366 -0.975 . . . . 10.0 108.366 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.81 48.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.481 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.65 170.58 54.23 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.703 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -72.97 -13.5 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 10.0 111.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.57 -10.8 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.037 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.7 -4.49 36.8 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.989 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -69.42 143.0 53.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -127.1 130.0 71.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.813 0.339 . . . . 10.0 110.725 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -115.57 123.34 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.183 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -80.94 115.02 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -93.5 107.93 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.842 -178.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.13 102.81 14.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.74 171.84 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.598 -178.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' ILE . 32.1 mttp -94.03 159.68 15.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -71.74 -7.36 47.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -101.86 -5.48 24.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 10.0 110.693 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.3 m -78.69 119.45 77.33 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.981 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.99 150.96 81.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.825 2.35 . . . . 10.0 111.816 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.3 mt -71.67 -8.97 57.39 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -64.27 -35.23 80.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 10.0 109.733 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -64.41 -43.33 94.73 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.01 -0.995 . . . . 10.0 110.218 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -57.55 -43.85 84.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.031 179.605 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 50.0 ttm -65.37 -41.33 93.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.213 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -82.33 -41.61 19.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -72.44 -27.97 62.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 10.0 110.495 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.498 ' SG ' HD13 ' A' ' 58' ' ' ILE . 6.4 t -62.3 -37.63 86.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.581 -0.525 . . . . 10.0 109.581 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -68.43 -31.97 71.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.602 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -68.38 -25.56 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -97.45 -19.73 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.48 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.1 46.27 59.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.44 -179.78 5.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.629 0.252 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -93.14 144.95 24.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.057 0.456 . . . . 10.0 110.705 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.8 -16.4 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.628 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt85 -92.08 2.09 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -107.2 -29.82 9.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.94 0.4 . . . . 10.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.498 HD13 ' SG ' ' A' ' 48' ' ' CYS . 9.1 pt -110.71 137.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.72 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -116.73 144.94 43.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -119.37 140.12 50.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.834 0.35 . . . . 10.0 110.779 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.2 145.4 51.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 10.0 111.963 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -142.44 134.44 27.25 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.926 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 59.92 27.57 16.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 10.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.85 8.3 87.3 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.757 -0.656 . . . . 10.0 113.201 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -124.1 149.65 61.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.986 0.393 . . . . 10.0 111.098 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.34 136.87 38.33 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.512 2.141 . . . . 10.0 111.485 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.26 129.7 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.843 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -88.3 164.6 15.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -78.66 -6.22 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -111.01 11.61 22.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.58 0.705 . . . . 10.0 110.462 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -83.16 141.77 31.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 151.09 56.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 51.7 Cg_exo -53.98 -45.51 40.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.785 2.324 . . . . 10.0 112.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.76 -17.81 61.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.344 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -83.64 -34.12 25.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 10.0 110.653 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt -92.08 9.75 32.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 55.77 48.97 17.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.437 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 91.7 mtp -82.91 153.43 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.759 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.25 -160.47 1.14 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.2 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 156.67 37.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.582 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 62.03 25.87 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 112.093 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.22 126.92 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 4.5 m -114.89 128.05 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.92 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.91 131.42 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.873 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.11 138.83 32.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.565 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -111.73 132.51 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.79 167.39 18.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -123.55 147.7 47.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 10.0 110.777 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.21 154.49 41.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -72.84 141.25 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.371 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -27.44 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.92 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 C-N-CA 120.886 -0.673 . . . . 10.0 111.704 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.237 0.423 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.05 120.69 38.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.604 -0.838 . . . . 10.0 110.825 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.35 127.19 43.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.094 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.02 131.22 8.34 Favored Glycine 0 N--CA 1.437 -1.239 0 C-N-CA 120.352 -0.927 . . . . 10.0 110.79 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.72 122.97 44.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.686 0.743 . . . . 10.0 109.018 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 32' ' ' PHE . 15.6 tt -125.13 127.89 72.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.484 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.7 p -122.74 128.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.468 -0.493 . . . . 10.0 110.623 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.436 HG22 HD13 ' B' ' 202' ' ' ILE . 16.0 pt -122.66 131.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 10.0 110.205 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.423 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -114.45 132.63 56.19 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.582 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 114.952 -1.022 . . . . 10.0 110.725 -179.04 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--O 1.232 0.169 0 N-CA-C 110.358 -0.238 . . . . 10.0 110.358 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -106.94 158.29 17.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' ILE . 17.7 tt -107.76 136.81 41.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -98.5 108.92 21.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.71 0.291 . . . . 10.0 110.692 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.9 mt -101.59 133.49 46.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.164 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.94 115.41 28.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 10.0 111.391 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.481 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 69.9 t -99.36 112.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.86 121.44 43.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.925 0.393 . . . . 10.0 111.885 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.9 37.09 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.572 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -80.09 -5.34 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 10.0 110.898 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -95.9 -14.73 22.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.07 -6.71 32.6 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.475 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.9 p -80.97 135.73 35.91 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 117.475 0.638 . . . . 10.0 110.084 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.56 135.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.061 0.458 . . . . 10.0 110.472 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 53.1 t -115.54 127.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.089 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -91.32 104.3 16.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.42 116.17 27.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.979 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -101.22 100.22 10.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -137.02 170.28 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.792 -178.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HZ2' ' P ' ' B' ' 203' ' ' SEP . 24.5 mttp -99.77 160.85 13.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -63.52 -24.98 68.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -91.28 3.72 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.481 . . . . 10.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.5 m -93.51 117.99 67.45 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.943 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.06 140.86 80.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.125 2.55 . . . . 10.0 112.99 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -74.97 -5.3 43.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.663 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.95 96.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.487 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -67.34 -34.64 77.76 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.7 -43.82 97.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 73.2 mtm -69.53 -44.93 69.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.697 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 52.2 mtmt -66.32 -50.52 63.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 10.0 112.071 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.38 76.66 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 83.0 t80 -63.08 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.607 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.51 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 10.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 53.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.795 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -69.6 -34.11 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.532 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 11.5 mm100 -76.6 -33.5 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.039 0.447 . . . . 10.0 109.849 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.25 11.92 43.82 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.7 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.3 mt -114.62 162.27 16.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.952 0.406 . . . . 10.0 110.903 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -77.48 155.84 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.471 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.4 ttp -70.85 -9.98 58.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -89.73 -7.42 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.245 0.545 . . . . 10.0 110.042 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -100.43 -34.74 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.4 mt -99.85 129.17 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -105.54 141.26 37.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.294 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -123.32 133.36 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.869 0.366 . . . . 10.0 111.004 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -130.02 141.6 50.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.783 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -139.13 130.38 26.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.465 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t0 68.28 10.34 7.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.48 -29.94 9.02 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.666 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -102.72 154.54 37.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.7 -0.294 . . . . 10.0 111.246 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.71 155.98 64.67 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.712 2.274 . . . . 10.0 112.143 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.8 mt -94.58 138.72 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.894 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -90.38 172.7 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.72 -8.27 59.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.711 0.291 . . . . 10.0 111.294 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.96 30.05 7.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.144 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -99.65 135.62 40.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 10.0 111.489 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.6 157.19 50.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.707 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.04 -28.44 87.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.426 2.084 . . . . 10.0 111.631 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.81 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.568 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -76.28 -47.27 24.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.134 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.4 mt -87.32 -2.73 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.512 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 77' ' ' GLU . 5.0 mm-40 53.28 63.21 2.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.87 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.9 mtp -82.2 153.05 26.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.268 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 64.9 mm-40 -107.5 166.93 10.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.651 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.09 140.24 56.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 70.95 16.38 6.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.581 . . . . 10.0 111.638 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.84 148.22 52.13 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.85 131.28 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 mt -104.42 138.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.273 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 132.05 39.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.894 0.378 . . . . 10.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 125.05 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.334 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -126.76 165.6 18.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.809 0.338 . . . . 10.0 110.643 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -110.55 138.3 47.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.269 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -66.78 146.26 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -67.35 142.2 56.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.347 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 -45.98 12.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.208 0.528 . . . . 10.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.809 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.409 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -117.17 123.81 47.61 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.392 0.615 . . . . 10.0 109.848 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.63 131.75 52.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.95 130.97 8.25 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.589 -1.005 . . . . 10.0 110.589 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 17.9 m -119.08 124.59 47.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.269 1.034 . . . . 10.0 110.375 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.405 HD12 HG21 ' B' ' 200' ' ' ILE . 19.9 mt -125.59 130.03 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.584 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.98 128.11 76.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.509 HD13 HG22 ' B' ' 202' ' ' ILE . 8.7 pt -120.3 130.47 74.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.433 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -121.74 128.46 51.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.378 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.312 -179.141 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.774 0.321 . . . . 10.0 110.535 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 40.6 m80 -81.32 141.27 34.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.19 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 tt -108.84 128.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -99.28 105.68 17.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.111 0.482 . . . . 10.0 110.965 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 mt -95.1 155.91 16.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.981 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -118.53 120.88 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.943 0.402 . . . . 10.0 111.276 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.488 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 98.9 t -89.78 128.83 41.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.44 110.5 22.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.456 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.21 161.23 39.19 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.2 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -77.26 -3.49 40.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 10.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -108.26 8.42 27.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.61 0.92 83.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.905 -0.664 . . . . 10.0 113.316 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 p -73.25 156.49 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.057 0.428 . . . . 10.0 110.743 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.7 p -134.54 133.76 54.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.088 0.471 . . . . 10.0 110.089 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG21 ' CE2' ' A' ' 47' ' ' TYR . 66.8 t -122.84 125.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -87.02 110.31 19.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.429 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' B' ' 200' ' ' ILE . 1.3 m-85 -98.47 104.97 17.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.124 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -89.62 99.56 12.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.173 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.64 165.11 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 10.0 109.929 -179.178 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 37.8 mttt -90.55 159.12 16.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -68.24 -20.98 64.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.571 0.224 . . . . 10.0 111.554 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.421 ' NE2' ' HD3' ' A' ' 35' ' ' LYS . 31.6 p80 -94.22 -3.94 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 10.0 110.585 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.498 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 27.8 m -81.57 122.86 81.06 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.201 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.0 137.9 83.23 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.676 2.251 . . . . 10.0 112.11 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.66 -5.22 36.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.923 0.392 . . . . 10.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -41.73 84.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.67 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HB2' HD13 ' B' ' 202' ' ' ILE . 2.0 mtpp -67.96 -35.87 79.11 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.12 0.486 . . . . 10.0 109.814 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.06 -32.34 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.382 -0.827 . . . . 10.0 111.329 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.96 -1.21 57.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.753 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -118.87 -38.44 3.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.59 77.66 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.759 0.281 . . . . 10.0 111.759 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.5 ' CE2' HG21 ' A' ' 30' ' ' VAL . 27.0 t80 -67.35 -37.51 83.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.6 80.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.256 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.04 -34.43 78.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.199 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 89.0 mtt180 -76.8 -34.65 57.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.283 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -77.7 -25.57 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.01 34.18 27.59 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.094 -0.803 . . . . 10.0 111.094 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -120.53 172.47 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 10.0 110.648 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -96.87 144.74 26.53 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.1 ttp -62.67 -26.59 68.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.984 0.421 . . . . 10.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -84.52 -7.29 59.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -86.36 -21.18 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.003 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 pt -123.62 175.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -136.09 138.56 42.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.264 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.44 127.99 54.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.95 137.86 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.948 0.404 . . . . 10.0 111.005 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -132.69 128.43 36.95 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 63.59 16.77 9.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.458 0.647 . . . . 10.0 109.962 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.05 70.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.483 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 86.5 mm-40 -106.99 138.73 19.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.579 0.189 . . . . 10.0 111.097 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 22.0 Cg_exo -65.36 131.72 29.12 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.577 2.185 . . . . 10.0 111.972 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.22 135.14 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.691 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -88.5 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.26 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.49 3.38 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.744 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.4 p -126.77 49.2 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.634 0.235 . . . . 10.0 111.634 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -139.26 149.34 44.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 10.0 111.727 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.0 p -116.55 164.95 16.38 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.026 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.632 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.4 Cg_exo -60.34 -32.32 93.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.194 1.929 . . . . 10.0 111.452 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -37.34 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.543 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -63.7 -37.6 87.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.062 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -93.63 7.01 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.588 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 52.63 53.28 12.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.187 0.518 . . . . 10.0 110.916 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.632 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 76.7 mtp -88.45 145.54 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.378 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -106.59 175.74 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.605 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 145.61 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.693 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 66.35 26.68 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.323 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 134.46 34.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.28 141.48 28.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.228 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.9 mt -121.72 134.36 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -94.32 138.21 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.119 0.485 . . . . 10.0 111.984 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.68 117.26 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.596 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.51 164.25 13.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.953 0.406 . . . . 10.0 111.421 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -97.4 147.67 23.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.527 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -84.8 148.8 26.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -59.34 115.78 3.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -30.42 70.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.112 0.482 . . . . 10.0 111.068 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 111.634 -0.587 . . . . 10.0 111.634 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.42 122.97 42.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.697 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.91 126.11 43.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.85 131.48 8.27 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 37.9 m -119.36 124.62 47.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 118.132 0.966 . . . . 10.0 110.399 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 32' ' ' PHE . 21.4 mt -127.11 131.09 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.052 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.4 128.74 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.446 HG13 HG22 ' A' ' 38' ' ' THR . 6.2 pt -123.42 131.18 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.872 0.368 . . . . 10.0 110.919 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.436 ' P ' ' HZ1' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.452 ' HB2' HG23 ' A' ' 38' ' ' THR . 5.3 t70 -121.02 130.22 53.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.037 0.446 . . . . 10.0 111.231 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.775 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--O 1.232 0.16 0 N-CA-C 110.268 -0.271 . . . . 10.0 110.268 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -119.59 154.05 34.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.545 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 tt -126.52 135.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -100.53 113.76 26.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.85 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.5 mt -100.07 161.46 13.59 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.6 mttt -130.64 130.67 44.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.185 0.517 . . . . 10.0 111.336 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -87.76 134.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.917 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.71 96.49 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.89 0.376 . . . . 10.0 110.403 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.2 152.02 26.38 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.49 -9.21 58.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 10.0 111.214 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -98.94 -6.45 28.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.715 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.4 -0.99 60.15 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.11 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 p -67.19 136.27 54.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 10.0 110.719 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.35 118.68 58.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.212 0.529 . . . . 10.0 110.174 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 62.0 t -119.32 124.28 72.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.732 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -91.27 124.05 35.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CG ' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.71 114.5 28.64 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.472 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -90.36 113.06 24.86 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.58 -1.267 . . . . 10.0 107.58 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tt -139.52 153.6 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.03 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 46.7 mttp -81.19 156.66 25.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.964 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -100.01 8.16 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 53.0 m -90.48 126.64 55.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.548 0.213 . . . . 10.0 111.075 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.17 137.54 77.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.056 2.504 . . . . 10.0 112.668 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.73 -8.41 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.456 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -34.41 71.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -64.34 -38.44 91.03 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-O 121.187 0.518 . . . . 10.0 110.475 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 32' ' ' PHE . 1.5 tt -65.14 -35.46 81.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.341 -0.845 . . . . 10.0 110.955 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.7 mtm -73.45 -26.55 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.048 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -90.62 -49.24 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.52 -54.66 16.78 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.269 0.84 . . . . 10.0 113.269 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CE2' HG21 ' A' ' 30' ' ' VAL . 11.1 t80 -70.73 -32.61 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.691 -0.404 . . . . 10.0 111.107 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.5 t -64.64 -41.17 96.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.044 0.45 . . . . 10.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.63 -37.65 87.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.145 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.31 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.3 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -81.67 -12.04 58.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.996 0.427 . . . . 10.0 110.338 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.75 44.64 61.95 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.936 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.1 mt -142.35 171.08 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.729 0.299 . . . . 10.0 110.697 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -89.06 142.75 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.9 ttp -63.7 -17.27 62.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.25 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -74.83 -15.31 60.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.997 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -87.34 -25.67 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.908 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 88' ' ' GLN . 5.4 pt -104.16 163.47 3.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.113 0.482 . . . . 10.0 112.086 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -135.95 128.46 30.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.521 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -102.44 139.18 38.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.84 0.352 . . . . 10.0 111.048 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -133.44 135.45 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.172 0.51 . . . . 10.0 111.097 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 78.9 t80 -136.96 128.36 28.31 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.12 26.46 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.879 0.847 . . . . 10.0 109.544 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.91 5.19 84.16 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.314 -0.857 . . . . 10.0 112.615 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -119.61 145.15 38.43 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.842 -0.211 . . . . 10.0 110.444 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.53 148.79 90.63 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.41 2.074 . . . . 10.0 111.577 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 mt -97.38 144.38 10.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.561 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -92.82 -172.17 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -106.64 25.12 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.231 0.539 . . . . 10.0 110.136 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.92 24.02 1.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.245 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.36 146.61 31.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.754 0.311 . . . . 10.0 111.389 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p -123.17 160.55 49.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.772 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.61 -36.76 98.3 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.348 2.032 . . . . 10.0 111.864 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.787 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -60.84 -45.76 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.664 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -84.58 7.94 18.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 54.32 50.02 17.23 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.165 0.507 . . . . 10.0 111.0 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.408 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 74.3 mtp -83.96 142.47 30.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.985 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -108.26 176.38 5.15 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.3 t70 -69.24 143.83 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 26.6 mt-10 71.95 13.57 5.96 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.624 0.578 . . . . 10.0 112.058 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.14 106.75 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 10.0 110.004 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.96 134.62 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.483 -0.781 . . . . 10.0 111.732 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.6 mt -112.16 126.51 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.163 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.72 134.15 40.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.426 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -122.18 113.89 40.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.582 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.18 -177.88 3.38 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 58' ' ' ILE . 48.4 mt-30 -127.91 159.77 33.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.769 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -69.19 143.0 54.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 10.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.75 30.84 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.285 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.253 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.14 122.99 43.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.158 -0.617 . . . . 10.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.44 41.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.64 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.35 130.06 7.6 Favored Glycine 0 N--CA 1.442 -0.967 0 C-N-CA 120.215 -0.993 . . . . 10.0 111.621 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 4.2 p -121.53 122.69 40.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 117.643 0.721 . . . . 10.0 109.491 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 25.1 mt -125.8 128.88 72.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.22 128.15 75.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.314 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -120.97 124.9 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 121.643 0.735 . . . . 10.0 109.681 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -118.41 130.25 55.87 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.236 0.349 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.441 -179.266 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.233 0.192 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.401 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 73.4 m80 -99.18 161.45 13.61 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.134 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.4 tt -121.71 128.36 75.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.074 0.464 . . . . 10.0 109.867 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -91.78 118.47 30.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.051 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.1 mt -115.35 135.49 54.08 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 83' ' ' THR . 89.0 mttt -106.06 114.54 28.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.936 0.398 . . . . 10.0 111.226 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.1 t -82.14 132.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.843 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 161.89 16.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.46 143.22 10.24 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -64.56 -27.59 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 10.0 110.723 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.52 -17.79 40.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.136 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.24 0.17 44.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.242 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -66.48 129.86 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.277 0.538 . . . . 10.0 110.401 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.53 129.99 57.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 10.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 33.7 t -120.65 118.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.31 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -91.53 105.09 17.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.849 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' B' ' 200' ' ' ILE . 0.8 OUTLIER -90.65 118.83 30.4 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.639 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -108.63 100.3 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -131.83 161.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.81 -178.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 34' ' ' ILE . 40.2 mttt -77.39 151.9 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.17 -20.86 65.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -93.97 1.09 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 10.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 95.4 m -89.51 124.94 63.04 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.359 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.9 143.34 92.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.056 2.504 . . . . 10.0 113.001 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.83 -4.64 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.352 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -50.15 74.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.567 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -29.6 70.67 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.714 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.8 -43.94 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 10.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.82 -38.51 79.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.433 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.54 -47.73 58.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.483 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.79 -48.23 75.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.636 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -65.29 -39.11 92.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.016 0.436 . . . . 10.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.1 t -64.34 -43.23 95.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.34 -27.3 67.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.722 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -67.95 -38.51 82.89 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.074 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.11 30.03 26.67 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.939 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -114.26 171.33 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.574 0.226 . . . . 10.0 110.758 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -86.07 143.31 28.14 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.5 ttp -64.13 -19.89 65.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 10.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -88.5 -4.29 58.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.043 0.449 . . . . 10.0 110.553 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -89.34 -22.71 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.948 0.404 . . . . 10.0 110.66 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.9 pt -123.17 165.64 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.361 . . . . 10.0 111.231 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.23 137.51 48.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -106.31 130.92 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.9 0.381 . . . . 10.0 110.773 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -124.76 142.29 51.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.784 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -141.21 128.16 20.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 61.85 28.97 17.76 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.499 0.666 . . . . 10.0 110.378 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.03 5.07 89.74 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.647 -0.706 . . . . 10.0 113.352 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -124.12 149.66 61.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.093 0.447 . . . . 10.0 110.96 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.12 132.8 27.01 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.609 2.206 . . . . 10.0 111.744 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mt -80.99 131.62 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.405 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.507 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 88.9 m-20 -79.96 169.18 18.24 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.83 25.43 4.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.919 0.39 . . . . 10.0 111.446 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.9 45.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.507 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 9.8 m-20 -130.07 156.71 44.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.178 0.513 . . . . 10.0 111.924 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.5 p -126.18 162.74 44.24 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.312 -0.858 . . . . 10.0 108.792 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.543 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.0 Cg_exo -58.8 -32.16 96.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.15 1.9 . . . . 10.0 111.658 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.5 -30.73 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.066 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -70.36 -38.53 74.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.326 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -94.32 7.44 45.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.605 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 52.59 50.99 16.99 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.203 0.525 . . . . 10.0 110.716 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.543 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.4 mtp -84.4 138.64 32.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.033 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -94.06 167.66 11.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.8 141.55 42.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.154 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 70.58 30.43 3.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.537 0.735 . . . . 10.0 112.499 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.78 178.4 8.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m -122.86 129.97 52.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.129 0.49 . . . . 10.0 112.318 -178.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.2 mt -104.44 130.94 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.614 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.32 139.15 35.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.411 . . . . 10.0 111.88 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.8 t -129.39 124.17 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.104 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.39 164.18 20.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.72 -0.218 . . . . 10.0 110.59 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -90.82 149.02 22.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.91 0.386 . . . . 10.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -82.22 140.45 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.271 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.3 117.3 3.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.982 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.79 34.16 2.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.421 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 C-N-CA 120.962 -0.637 . . . . 10.0 111.798 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 120.753 0.311 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.42 128.22 54.41 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 120.969 0.414 . . . . 10.0 110.28 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.56 126.99 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.19 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.77 134.21 9.49 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.66 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.0 m -118.33 126.39 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.944 0.872 . . . . 10.0 110.489 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 18.4 mt -124.54 129.42 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.373 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.03 128.36 76.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.416 HG12 ' CG2' ' A' ' 34' ' ' ILE . 6.4 pt -122.23 130.29 74.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -124.78 130.02 51.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.948 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.857 -179.561 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.938 0.399 . . . . 10.0 110.654 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -90.4 145.75 24.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.13 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 34' ' ' ILE . 16.5 tt -111.5 139.2 36.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.501 -0.926 . . . . 10.0 108.501 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -100.6 103.84 15.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.922 0.392 . . . . 10.0 110.948 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.8 mt -100.58 154.84 18.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.419 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -112.46 126.3 55.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.964 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -108.32 114.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.95 137.83 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.76 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.92 163.6 12.95 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.854 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.27 -6.86 42.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.075 0.464 . . . . 10.0 111.404 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.62 -5.4 25.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.13 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.6 14.8 49.0 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.848 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 p -85.03 151.34 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -129.9 119.65 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.181 0.515 . . . . 10.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.97 122.12 67.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.525 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.45 118.0 24.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.403 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -100.43 111.52 23.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.501 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.74 101.45 13.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 18' ' ' ILE . 3.3 tt -134.55 152.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.954 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -79.16 148.71 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 36' ' ' ARG . 39.9 mtp85 -68.2 -7.13 27.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -108.0 -1.38 20.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.953 0.406 . . . . 10.0 111.029 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.415 HG21 ' HB2' ' B' ' 204' ' ' ASP . 99.3 m -85.98 127.76 60.78 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.883 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.46 137.37 77.4 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.038 2.492 . . . . 10.0 112.669 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -72.27 -4.27 28.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.676 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -33.49 71.14 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.844 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -73.35 -35.34 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 10.0 109.576 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.41 -20.62 65.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 40.9 mtm -97.86 12.53 33.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.848 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -135.3 -38.34 0.76 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.96 -50.23 71.36 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -68.81 -34.05 74.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 10.0 110.078 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.573 ' SG ' HD13 ' A' ' 58' ' ' ILE . 37.3 m -62.68 -43.88 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -61.16 -43.35 99.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -68.12 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.153 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -79.25 -26.53 42.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 10.0 110.271 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.93 25.8 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.629 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.06 154.17 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 10.0 110.605 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 t -85.61 150.76 24.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.761 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.7 ttp -62.57 -18.05 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 10.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 56' ' ' ARG . 7.2 tpt180 -76.65 -22.08 54.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -86.85 -33.77 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.573 HD13 ' SG ' ' A' ' 48' ' ' CYS . 8.9 pt -108.27 169.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.857 0.36 . . . . 10.0 111.49 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.0 142.73 49.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -112.94 135.32 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -136.11 145.78 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.23 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -141.19 127.03 19.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.599 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 61.26 23.11 13.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.239 0.542 . . . . 10.0 111.058 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.11 -2.74 81.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.86 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -110.17 139.89 21.86 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.774 -0.251 . . . . 10.0 110.768 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -69.4 127.82 15.45 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.347 2.031 . . . . 10.0 110.903 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mt -73.04 133.63 31.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.111 0.481 . . . . 10.0 111.671 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.98 167.13 12.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.877 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -84.65 -1.92 56.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.95 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -117.62 34.94 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.71 0.29 . . . . 10.0 111.779 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -121.68 152.64 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.094 0.473 . . . . 10.0 111.943 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.41 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 28.9 p -126.54 164.42 34.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.57 -36.55 98.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.979 1.786 . . . . 10.0 111.502 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.42 62.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.247 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.41 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.9 tp60 -63.0 -35.21 79.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 10.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.2 mt -96.23 6.12 49.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.351 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 54.2 44.48 29.06 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.308 0.575 . . . . 10.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.5 mtp -80.99 161.92 24.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.787 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.512 ' C ' HD12 ' A' ' 18' ' ' ILE . 51.5 mm-40 -133.52 -177.9 4.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.398 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.31 153.12 42.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.808 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 70.72 11.67 7.21 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.468 0.707 . . . . 10.0 112.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.98 146.4 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 131.99 54.78 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.6 0.593 . . . . 10.0 112.6 -178.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.2 mp -102.72 130.54 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.219 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.97 125.63 35.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.286 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.6 t -108.85 114.49 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.61 176.19 5.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.982 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -119.4 146.9 44.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.687 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -81.32 143.5 32.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.84 0.352 . . . . 10.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -63.98 138.56 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.76 -30.29 51.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.133 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.764 -0.731 . . . . 10.0 112.166 -179.805 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.91 121.66 39.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.027 -0.669 . . . . 10.0 111.411 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.33 124.55 38.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.722 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.43 130.75 7.62 Favored Glycine 0 C--O 1.22 -0.781 0 C-N-CA 120.667 -0.777 . . . . 10.0 112.478 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 73.8 m -121.14 123.44 42.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.131 0.965 . . . . 10.0 110.711 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.414 HD12 HG21 ' B' ' 200' ' ' ILE . 27.4 mt -126.53 129.15 71.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.721 178.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.31 127.26 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 122.228 -0.295 . . . . 10.0 110.257 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.425 HD13 HG22 ' B' ' 202' ' ' ILE . 3.2 pt -122.5 129.79 74.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.884 0.373 . . . . 10.0 110.755 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.415 ' HB2' HG21 ' A' ' 38' ' ' THR . 5.0 t70 -122.44 127.34 49.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.145 179.322 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.921 0.391 . . . . 10.0 110.684 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -95.13 125.2 39.62 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.6 tt -101.0 143.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 21.0 m-80 -115.42 123.25 48.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.186 0.517 . . . . 10.0 111.253 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.2 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.413 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 83' ' ' THR . 96.8 mttt -125.49 122.7 37.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.095 0.474 . . . . 10.0 111.363 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 71.4 t -86.81 127.1 40.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.886 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.93 105.35 17.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.942 0.401 . . . . 10.0 111.149 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.89 143.68 25.62 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -65.35 -17.48 64.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.87 0.367 . . . . 10.0 111.664 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.2 -23.78 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.298 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.58 -24.32 5.84 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.419 -0.896 . . . . 10.0 112.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 p -60.15 152.09 25.31 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.739 0.304 . . . . 10.0 110.416 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.32 142.7 37.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 10.0 110.968 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 5.7 t -122.87 118.98 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.402 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.98 113.31 24.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.969 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 19' ' ' ASN . 1.2 m-85 -95.76 112.73 24.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.265 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -97.79 102.35 14.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -136.77 161.53 36.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.362 -178.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 34' ' ' ILE . 50.4 mttp -79.69 153.09 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.02 -14.19 59.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -104.89 10.54 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.892 0.377 . . . . 10.0 111.374 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -83.38 126.01 72.72 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.162 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.83 136.07 58.71 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.057 2.505 . . . . 10.0 112.381 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.85 -20.06 65.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.582 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -23.89 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.029 0.443 . . . . 10.0 110.714 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -65.99 -44.09 85.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.588 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.42 -36.72 85.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 10.0 110.313 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.442 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 29.8 ttm -62.45 -30.7 71.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -96.54 -36.41 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.984 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.48 -56.67 18.27 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -68.82 -28.86 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 10.0 110.516 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 53' ' ' LEU . 50.0 t -65.12 -49.48 69.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.98 -30.41 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -68.57 -38.76 80.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.756 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -75.81 -29.8 58.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 10.0 110.205 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.31 37.81 6.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.067 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD11 ' SG ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.3 -175.92 3.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 10.0 110.736 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.5 t -85.39 139.83 31.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.577 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.3 ttp -67.58 -23.73 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.313 0.578 . . . . 10.0 110.823 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -86.53 -10.27 54.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.971 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -88.52 -2.44 58.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 10.0 110.608 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 pt -129.42 170.1 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.524 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -140.33 142.01 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.271 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 44' ' ' MET . 27.6 m-85 -112.15 134.7 53.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.884 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -128.71 144.61 51.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.128 0.49 . . . . 10.0 111.406 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -141.19 121.15 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.984 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.07 32.74 17.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.675 0.75 . . . . 10.0 109.798 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.97 63.07 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.885 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 57.4 mm-40 -107.39 135.72 19.65 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.702 -0.293 . . . . 10.0 110.384 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 26.1 Cg_exo -62.62 142.74 90.86 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.484 2.123 . . . . 10.0 111.768 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.0 mt -89.95 131.68 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.77 0.319 . . . . 10.0 110.809 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -96.3 163.2 13.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.23 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.63 11.57 14.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.865 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 32.19 5.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.971 0.415 . . . . 10.0 111.403 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -125.46 166.07 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 10.0 111.285 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.78 161.64 62.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.241 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.16 -53.26 7.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.107 2.538 . . . . 10.0 112.752 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.94 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.587 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -78.55 -35.7 45.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.984 0.421 . . . . 10.0 110.248 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 mt -94.4 4.31 54.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.15 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 60.9 38.39 17.74 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.32 161.79 28.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.71 179.82 4.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.576 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.04 144.55 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.295 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 67.34 24.39 8.98 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.333 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 137.23 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 m -91.08 142.26 27.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.992 0.425 . . . . 10.0 111.784 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.6 mt -121.15 132.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.028 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 2.1 m-20 -90.02 132.92 35.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.1 t -123.35 122.74 65.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.2 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 85' ' ' ASP . 66.7 m-85 -126.44 167.35 15.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.021 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -104.07 149.03 25.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -74.08 146.73 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -69.66 154.19 42.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.756 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -99.15 -43.44 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.148 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 121.77 40.52 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.121 -0.631 . . . . 10.0 111.062 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.86 126.84 43.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.461 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.66 129.02 7.52 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.323 -0.942 . . . . 10.0 111.61 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 23.6 m -121.48 125.27 46.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.546 0.673 . . . . 10.0 110.525 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.401 HD11 ' CE1' ' A' ' 32' ' ' PHE . 8.8 mt -126.99 129.14 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.823 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -121.49 125.92 74.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.092 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.504 HD13 HG22 ' B' ' 202' ' ' ILE . 4.3 pt -122.95 131.18 73.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 10.0 111.062 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -121.6 128.73 52.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.577 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--O 1.235 0.319 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.221 179.582 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 110.06 -0.348 . . . . 10.0 110.06 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -86.33 134.06 33.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.77 0.319 . . . . 10.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 34' ' ' ILE . 18.9 tt -100.93 141.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.786 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -99.12 105.45 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.007 0.432 . . . . 10.0 111.316 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.23 128.52 54.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.807 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -100.2 117.09 33.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.459 . . . . 10.0 111.174 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.17 136.14 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.87 121.88 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.801 0.334 . . . . 10.0 111.16 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.95 -139.21 5.12 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.888 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -112.5 9.45 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.845 0.355 . . . . 10.0 110.954 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.35 -63.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.128 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.07 -7.98 0.49 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.02 98.63 2.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.76 0.314 . . . . 10.0 110.327 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.9 132.13 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.268 0.556 . . . . 10.0 111.195 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 HG21 ' CE2' ' A' ' 47' ' ' TYR . 86.5 t -120.34 122.31 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.288 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -92.3 116.06 28.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.425 ' CE1' HD13 ' B' ' 200' ' ' ILE . 1.7 m-85 -95.62 123.14 39.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.767 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -102.88 98.94 8.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.11 157.52 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.72 -178.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' ILE . 30.6 mttt -79.49 161.82 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -70.96 -15.21 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.791 0.293 . . . . 10.0 111.791 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -98.15 -4.68 35.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.042 0.448 . . . . 10.0 110.309 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.405 HG23 HG13 ' B' ' 202' ' ' ILE . 35.7 m -80.88 122.98 82.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.234 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.9 138.53 82.25 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.123 2.549 . . . . 10.0 112.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.97 -7.84 54.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.95 83.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.784 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -28.94 67.79 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.315 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -64.63 -41.14 96.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.041 0.448 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 78.6 mtm -72.82 -38.25 67.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.657 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HG3' ' SD ' ' A' ' 55' ' ' MET . 10.7 mtmt -72.07 -45.63 59.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.901 -0.59 . . . . 10.0 112.092 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.0 -54.73 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.141 0.423 . . . . 10.0 112.141 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CE2' HG21 ' A' ' 30' ' ' VAL . 11.1 t80 -63.31 -40.16 96.58 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.678 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.0 t -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -36.6 84.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.024 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -66.72 -30.73 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.638 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.0 mm100 -83.74 -19.8 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.339 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.19 42.82 18.15 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.3 mt -132.42 177.39 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -95.51 140.56 30.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.44 ' SD ' ' HG3' ' A' ' 45' ' ' LYS . 31.9 ttp -66.81 -14.44 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 10.0 110.473 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -85.51 -17.32 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.878 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -83.83 -24.16 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.9 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 pt -113.96 174.07 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.944 0.402 . . . . 10.0 111.546 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -138.9 149.76 45.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.834 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 67' ' ' ILE . 87.4 m-85 -125.43 139.15 53.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -134.75 150.53 50.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 10.0 111.958 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.2 t80 -140.83 125.99 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.161 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 62.22 21.17 12.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.48 0.657 . . . . 10.0 110.563 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.01 0.03 81.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -112.72 145.49 33.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.687 0.244 . . . . 10.0 110.605 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.14 136.24 43.47 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.432 2.088 . . . . 10.0 111.657 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' A' ' 60' ' ' PHE . 65.0 mt -82.04 137.84 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.227 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -90.08 159.38 16.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.517 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.18 3.26 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.633 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.45 29.32 5.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.206 0.527 . . . . 10.0 110.478 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.0 159.32 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.396 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.18 160.28 69.11 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.624 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.08 -40.73 81.39 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.246 1.964 . . . . 10.0 112.153 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.24 -3.55 43.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.469 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -99.8 -28.21 13.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 10.0 110.333 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt -101.29 11.68 38.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 55.33 46.98 22.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.216 0.531 . . . . 10.0 110.77 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 80.9 mtp -90.41 141.91 28.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.264 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -120.1 -179.4 3.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.78 154.95 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 62.78 30.11 16.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.664 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 172.79 12.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.381 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 m -133.4 132.69 41.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.177 0.513 . . . . 10.0 111.604 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.1 mt -109.86 130.16 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.755 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.89 144.14 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.601 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.2 t -127.32 128.11 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.307 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -124.39 170.0 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.576 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -113.74 142.39 46.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.212 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -76.21 140.51 41.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.482 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -57.93 147.1 29.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.403 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.25 -30.3 21.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.325 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.213 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.897 -0.408 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.2 p -119.32 123.03 43.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.995 -0.682 . . . . 10.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.7 129.0 48.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.301 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.47 127.92 7.11 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 110.778 -0.929 . . . . 10.0 110.778 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 14.2 m -121.1 123.82 43.26 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.29 -0.564 . . . . 10.0 110.52 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.425 HD13 ' CE1' ' A' ' 32' ' ' PHE . 19.1 mt -126.07 131.19 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.686 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.02 127.93 75.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.405 HG13 HG23 ' A' ' 38' ' ' THR . 7.9 pt -121.9 130.7 74.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.482 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -121.38 128.63 52.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.758 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.475 179.507 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.233 0.212 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -111.07 131.77 54.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.885 0.374 . . . . 10.0 110.871 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 tt -109.55 142.32 22.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -107.89 137.8 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 10.0 111.394 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 mt -121.82 164.87 16.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.955 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -122.61 136.56 54.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.047 0.451 . . . . 10.0 111.129 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.2 t -100.81 123.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.832 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' HB2' ' CG2' ' A' ' 83' ' ' THR . . . -93.23 104.97 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.021 0.438 . . . . 10.0 111.614 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.89 157.79 27.63 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.449 -1.06 . . . . 10.0 110.449 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -87.76 -6.1 58.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.128 0.464 . . . . 10.0 110.849 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -99.74 -8.41 24.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.86 -10.12 40.71 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.149 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -77.49 136.08 38.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.197 0.498 . . . . 10.0 110.203 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.33 131.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.348 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.0 t -115.62 125.4 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.1 0.476 . . . . 10.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -80.96 113.65 19.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.431 -0.951 . . . . 10.0 108.431 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.03 106.98 19.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.653 -178.518 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -93.16 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.47 166.34 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.611 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.701 ' HZ2' ' P ' ' B' ' 203' ' ' SEP . 17.3 mttt -92.39 156.31 17.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -64.7 -23.92 67.41 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -90.86 -8.54 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 10.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.457 HG23 HG13 ' B' ' 202' ' ' ILE . 47.7 m -76.52 119.6 78.05 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.165 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.59 145.28 81.83 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.833 2.355 . . . . 10.0 113.02 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.5 -7.35 49.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -31.34 70.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.383 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -70.46 -30.82 67.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.351 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.8 tt -65.55 -38.43 89.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.285 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -83.21 3.35 31.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.32 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -116.56 -53.57 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.36 -47.02 82.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.918 0.39 . . . . 10.0 111.428 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -71.92 -28.55 63.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.966 0.412 . . . . 10.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.412 ' SG ' HD13 ' A' ' 58' ' ' ILE . 5.3 t -69.42 -43.87 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.334 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.77 -36.46 83.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -62.97 -40.5 97.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.89 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.12 -14.78 58.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.948 0.404 . . . . 10.0 110.696 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.74 62.53 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.011 -0.614 . . . . 10.0 111.945 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.41 167.51 12.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.573 0.225 . . . . 10.0 110.415 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 t -91.48 140.88 29.33 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.2 ttp -61.86 -22.61 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.162 0.506 . . . . 10.0 110.625 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.4 ttt85 -78.84 -11.38 59.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.963 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -94.25 -36.86 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.934 0.397 . . . . 10.0 111.044 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.412 HD13 ' SG ' ' A' ' 48' ' ' CYS . 11.3 pt -97.32 166.85 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.467 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -136.09 142.9 44.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.845 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -117.46 135.51 53.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 10.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -127.17 143.94 51.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.442 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 92.1 t80 -145.97 130.36 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.719 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.24 26.0 15.57 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.425 0.631 . . . . 10.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.91 73.95 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.962 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -111.38 153.47 44.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.822 0.311 . . . . 10.0 110.337 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.13 143.83 32.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.744 2.296 . . . . 10.0 111.669 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.0 mt -88.44 130.89 37.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.765 0.317 . . . . 10.0 110.993 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -94.27 171.9 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.2 11.08 12.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.054 0.455 . . . . 10.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -125.55 28.04 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.237 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -118.79 146.34 44.89 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.42 0.629 . . . . 10.0 112.333 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.4 p -122.47 161.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.867 -1.06 . . . . 10.0 109.088 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.543 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 40.2 Cg_exo -57.66 -38.9 91.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.419 2.079 . . . . 10.0 111.71 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.68 84.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -62.32 -39.02 91.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.489 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.41 8.84 43.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.804 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 49.25 51.54 16.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.764 0.665 . . . . 10.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.558 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 85.0 mtp -76.56 146.22 38.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.216 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 10.6 mm-40 -121.54 176.49 5.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.268 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 3.8 t70 -72.17 158.5 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.898 -0.779 . . . . 10.0 108.898 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.2 mm-40 70.49 5.38 5.35 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.338 0.399 . . . . 10.0 111.54 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.3 t0 -77.44 145.11 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.416 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 4.3 m -120.21 135.31 55.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.2 mt -107.3 133.33 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.294 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -88.22 135.89 33.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.258 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.86 121.95 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.808 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.3 179.29 4.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.219 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -129.42 143.23 50.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -68.92 141.96 54.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.364 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -57.39 142.93 42.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.707 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -47.25 77.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.998 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' B' ' 196' ' ' THR . 19.8 t70 . . . . . 0 C--O 1.236 0.367 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 196' ' ' THR . . . . . 0.433 ' H ' ' CG ' ' B' ' 195' ' ' ASP . 0.2 OUTLIER -118.04 116.75 27.51 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.385 -0.926 . . . . 10.0 110.532 178.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.1 128.59 40.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.778 -1.101 . . . . 10.0 109.143 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.53 129.76 7.85 Favored Glycine 0 N--CA 1.436 -1.303 0 C-N-CA 119.706 -1.235 . . . . 10.0 110.829 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 74.1 m -122.69 122.89 39.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.869 0.834 . . . . 10.0 110.631 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 43.6 mt -127.34 128.81 70.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.989 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.2 p -122.67 128.27 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.457 HG13 HG23 ' A' ' 38' ' ' THR . 0.8 OUTLIER -121.01 130.33 74.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.701 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.57 127.89 53.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.068 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--O 1.236 0.387 0 O-C-N 123.29 0.369 . . . . 10.0 111.149 179.304 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.807 0.337 . . . . 10.0 110.586 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 5.3 m80 -98.89 133.55 43.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.4 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.7 tt -103.51 130.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.21 113.89 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.046 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.02 145.87 27.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.053 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -105.9 117.25 33.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.729 0.299 . . . . 10.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 42.1 t -95.0 122.98 46.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.732 -0.84 . . . . 10.0 108.732 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.1 115.3 29.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 10.0 112.068 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.92 165.97 33.56 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.793 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -79.11 -9.82 59.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.071 0.462 . . . . 10.0 110.806 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -91.84 -7.87 48.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.78 4.65 56.86 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.83 -0.7 . . . . 10.0 113.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 p -73.86 145.37 44.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.746 0.308 . . . . 10.0 110.645 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.93 112.8 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.305 0.574 . . . . 10.0 109.759 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 40.7 t -111.69 124.83 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.7 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -95.47 112.44 24.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.788 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' HD13 ' B' ' 200' ' ' ILE . 2.8 m-85 -97.28 109.22 22.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.948 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -93.38 102.12 14.36 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.51 168.8 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.102 -178.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.518 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 26.9 mttt -93.03 154.58 18.04 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -63.41 -24.99 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.631 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -93.66 -2.49 53.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.044 0.45 . . . . 10.0 110.861 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 92.4 m -83.19 119.92 74.95 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.129 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.3 139.93 81.51 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.911 2.407 . . . . 10.0 112.366 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.5 -0.09 14.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.437 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -39.03 93.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.422 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -30.56 67.0 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.346 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 32' ' ' PHE . 3.4 tt -60.41 -45.74 92.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.829 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.5 mtm -68.75 -44.92 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.738 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.354 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.49 81.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 10.0 111.577 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -70.84 -38.23 73.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.062 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 p -67.05 -35.05 79.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.788 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -69.49 -38.73 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.709 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -67.6 -34.9 77.93 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.808 0.337 . . . . 10.0 110.614 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.7 -30.63 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.191 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.04 33.45 10.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -127.57 153.79 45.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.58 0.228 . . . . 10.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.2 t -68.56 147.41 52.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.245 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.4 ttp -65.5 -18.78 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.112 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -81.79 -16.35 51.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 10.0 110.766 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.14 -30.14 26.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 10.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 pt -93.02 153.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.09 113.22 15.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.052 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -94.8 133.19 38.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.928 0.394 . . . . 10.0 111.214 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.04 148.63 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 23.1 t80 -144.37 125.56 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.115 178.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 62.0 29.96 17.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.496 0.665 . . . . 10.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.45 -13.62 45.42 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.507 -0.769 . . . . 10.0 113.004 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.9 mm-40 -101.92 138.53 19.82 Favored Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 122.749 -0.265 . . . . 10.0 110.74 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 37.7 Cg_exo -61.32 144.32 98.47 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.553 2.169 . . . . 10.0 111.464 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.4 mt -84.64 139.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.06 0.457 . . . . 10.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.74 176.93 8.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.211 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -99.85 0.83 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.407 . . . . 10.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.66 50.14 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.678 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.54 150.93 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 10.0 111.488 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -122.87 160.5 48.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.619 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.88 -31.04 93.23 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.221 1.947 . . . . 10.0 111.44 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.85 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.082 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -75.23 -29.18 60.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 10.0 111.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.01 -1.93 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.743 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 57.66 51.95 8.85 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.779 0.674 . . . . 10.0 110.996 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.8 mtp -94.01 152.53 18.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -119.47 176.06 5.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.52 153.57 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.484 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 66.72 30.95 7.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.037 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -85.84 156.23 20.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.0 m -113.85 124.17 51.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.398 0.618 . . . . 10.0 112.117 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -105.3 132.58 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.558 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.96 137.38 35.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.806 0.336 . . . . 10.0 111.347 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -124.44 113.78 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.619 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -113.22 -172.79 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -129.92 145.51 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 10.0 110.712 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -68.22 136.36 53.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.68 133.9 55.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.104 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -21.53 43.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.646 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.261 -179.877 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.31 124.21 47.25 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.477 0.656 . . . . 10.0 111.594 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.05 128.11 48.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.192 -0.913 . . . . 10.0 109.766 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.75 131.59 8.58 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 2.7 m -119.34 124.43 46.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.91 0.855 . . . . 10.0 109.619 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 3.3 mt -125.07 130.72 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.8 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.97 127.7 75.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 176.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.493 HD13 HG22 ' B' ' 202' ' ' ILE . 8.7 pt -123.33 135.69 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 10.0 110.956 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -123.72 127.37 48.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.525 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.459 179.591 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.591 0.234 . . . . 10.0 110.645 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -125.58 130.07 50.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.277 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 tt -102.12 131.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.32 117.69 34.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.853 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.73 155.42 24.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.265 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -110.16 154.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.891 0.377 . . . . 10.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -113.46 115.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.701 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 85' ' ' ASP . . . -84.68 99.25 10.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.951 0.405 . . . . 10.0 110.729 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.4 166.17 39.78 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.62 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -94.63 -5.22 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.078 0.466 . . . . 10.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.73 -35.27 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.47 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.49 -28.13 2.79 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.457 -0.877 . . . . 10.0 112.724 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.6 p -62.43 145.05 55.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.091 0.472 . . . . 10.0 110.795 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.1 p -131.25 136.17 58.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.78 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 16.1 t -116.85 118.16 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.189 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -73.8 112.61 10.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -88.56 102.49 14.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.62 -178.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -92.1 100.16 12.84 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -133.8 167.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.804 -179.151 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -93.41 153.62 18.4 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.143 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -63.92 -17.83 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.861 0.362 . . . . 10.0 111.261 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -103.57 10.53 36.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 10.0 111.079 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 88.7 m -95.0 128.39 39.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.165 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.25 139.72 72.58 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.987 2.458 . . . . 10.0 112.834 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 ' SD ' ' A' ' 78' ' ' MET . 31.5 mt -76.05 -10.79 59.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.992 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 p -60.29 -33.89 72.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.042 0.448 . . . . 10.0 110.083 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -64.39 -34.8 79.02 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.158 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -56.72 -44.58 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.028 -179.144 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.515 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 72.2 mtm -71.87 -49.53 37.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.103 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -63.48 -52.85 59.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.91 90.8 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -72.67 -37.95 67.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.254 -0.179 . . . . 10.0 111.044 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.8 t -62.69 -34.28 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 10.0 110.525 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -65.21 -33.77 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.791 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -71.04 -33.41 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 10.0 109.965 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -78.8 -28.82 44.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.439 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.71 36.99 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -121.18 169.68 10.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.676 0.274 . . . . 10.0 110.278 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.9 t -82.56 144.28 30.47 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.98 -20.12 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 10.0 110.602 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -87.56 -7.99 56.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -86.01 -24.31 26.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.364 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 pt -119.45 172.2 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 10.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -138.97 145.97 40.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -113.67 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -126.92 142.85 51.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.71 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 40.5 t80 -133.76 118.85 18.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.19 13.41 8.72 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.612 0.72 . . . . 10.0 110.453 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.84 -10.89 60.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.812 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -96.71 138.67 21.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.75 131.69 21.78 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.276 1.984 . . . . 10.0 111.62 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.2 mt -84.97 140.18 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.347 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -103.79 167.7 9.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.783 0.325 . . . . 10.0 110.227 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -74.36 -5.31 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.882 0.372 . . . . 10.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.83 22.23 16.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.584 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.27 151.34 23.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 111.29 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.69 162.8 52.55 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.687 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 54.2 Cg_exo -53.31 -46.03 36.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.682 2.255 . . . . 10.0 112.662 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -20.94 58.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 10.0 111.214 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -71.71 -33.1 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.238 0.542 . . . . 10.0 110.221 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.6 mt -102.96 4.01 36.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.661 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 56.07 41.31 29.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.8 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 55.5 mtp -75.54 145.27 41.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.76 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -120.76 -177.05 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.577 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 5.2 t70 -75.62 159.64 30.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.7 mm-40 73.09 3.15 4.59 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.458 0.474 . . . . 10.0 111.243 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.47 151.48 34.65 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -126.43 136.45 52.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.41 . . . . 10.0 111.874 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.85 134.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 8.1 m-20 -91.01 137.52 32.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 10.0 111.268 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.03 125.74 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -126.43 160.48 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.857 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.41 149.47 23.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -84.66 133.15 34.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.9 0.381 . . . . 10.0 110.109 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -61.68 143.05 56.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.554 -0.748 . . . . 10.0 111.546 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.57 -19.07 20.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.034 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.371 -179.72 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -118.88 126.14 51.12 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.402 -0.519 . . . . 10.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.84 129.67 52.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . 0.582 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.63 133.47 9.48 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.26 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.6 m -117.24 124.04 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.524 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 7.4 tt -126.11 129.65 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.949 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.3 p -123.05 128.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 121.727 -0.608 . . . . 10.0 111.399 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.424 HD13 HG22 ' B' ' 202' ' ' ILE . 4.0 pt -122.79 128.68 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.449 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -120.28 127.09 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 10.0 110.84 179.344 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--O 1.235 0.302 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -89.69 121.65 32.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.391 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.2 tt -98.02 127.29 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.864 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -90.28 104.28 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.106 0.479 . . . . 10.0 111.133 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.07 156.07 17.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.637 -0.711 . . . . 10.0 109.364 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -122.59 138.7 54.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 10.0 112.029 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.31 118.59 57.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.471 -0.786 . . . . 10.0 108.938 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.67 113.75 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.94 0.4 . . . . 10.0 111.062 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.57 168.89 30.99 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.867 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -70.49 -19.38 62.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.108 0.48 . . . . 10.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.59 -28.33 56.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.239 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.69 -13.46 32.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.647 -0.787 . . . . 10.0 111.519 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.57 121.46 16.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.72 134.26 38.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 10.0 110.838 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.44 124.48 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.99 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -87.5 115.82 25.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -93.28 111.02 22.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.945 -179.026 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -97.15 102.96 14.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -135.86 164.39 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.336 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 34' ' ' ILE . 12.0 mttp -86.5 153.52 21.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -69.46 -5.45 23.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.511 0.559 . . . . 10.0 112.511 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -118.42 14.01 13.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.439 0.637 . . . . 10.0 110.119 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.5 m -95.66 125.04 50.78 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 144.63 56.18 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.898 2.398 . . . . 10.0 112.767 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.05 -1.6 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.74 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -39.45 91.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 10.0 110.333 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.461 ' HB2' ' CD1' ' B' ' 202' ' ' ILE . 0.3 OUTLIER -69.3 -32.69 71.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.215 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 1.5 tt -62.84 -35.81 81.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.996 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 69.2 mtm -81.51 -30.0 33.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.796 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -90.04 -40.56 12.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.39 72.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.19 -32.11 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 10.0 110.368 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' MET . 19.4 t -64.73 -44.39 90.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.33 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -65.34 -35.96 82.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.974 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -61.55 -37.83 85.23 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.12 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -79.75 -20.33 46.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.56 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.48 33.16 35.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.217 -0.516 . . . . 10.0 112.647 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.9 mt -122.51 173.9 7.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.688 0.28 . . . . 10.0 110.568 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -89.95 143.02 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.191 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.9 ttp -65.98 -19.62 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.926 0.393 . . . . 10.0 110.44 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -82.84 -10.83 58.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -89.59 -27.1 20.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 10.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.0 pt -112.17 169.09 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.13 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -140.33 143.06 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.877 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -117.6 133.72 55.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -129.6 138.61 51.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.985 0.421 . . . . 10.0 111.522 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -131.04 129.15 41.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.839 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.2 23.03 13.57 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.54 0.686 . . . . 10.0 109.963 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.38 1.86 90.27 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.388 -0.823 . . . . 10.0 112.832 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -108.76 141.05 22.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.65 0.225 . . . . 10.0 110.753 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.59 131.14 23.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.702 2.268 . . . . 10.0 111.859 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -84.49 140.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -102.97 -177.88 3.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.439 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.18 12.56 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.83 0.348 . . . . 10.0 111.324 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 p -131.7 37.16 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.992 0.425 . . . . 10.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.07 153.06 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.14 0.495 . . . . 10.0 111.445 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.416 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -128.2 163.0 46.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.54 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 53.1 Cg_exo -55.48 -46.52 31.67 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.519 2.146 . . . . 10.0 112.076 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.79 75.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.755 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' HB3' ' H ' ' A' ' 72' ' ' THR . 43.0 tp60 -64.2 -38.43 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.22 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.1 mt -93.97 6.4 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 58.22 43.22 20.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.062 0.458 . . . . 10.0 110.592 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 74.3 mtp -85.62 142.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.788 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -121.73 177.79 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.168 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 10.5 t70 -68.06 146.81 53.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.254 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.5 mm-40 78.26 3.07 2.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.534 0.734 . . . . 10.0 112.2 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.35 142.75 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.313 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -113.53 142.96 45.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.034 0.445 . . . . 10.0 111.703 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.4 mt -115.51 133.98 60.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.754 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -86.79 142.49 28.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 10.0 111.109 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.6 t -112.8 120.7 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.386 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -119.18 169.55 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.372 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -120.2 159.74 24.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.016 -0.365 . . . . 10.0 110.016 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -85.26 145.16 27.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.758 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -67.58 141.37 56.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.849 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -44.24 46.19 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 10.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.424 179.642 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 p -117.58 122.72 44.4 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.909 0.862 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.85 127.87 46.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.692 -1.14 . . . . 10.0 109.093 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.03 130.39 8.21 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 111.044 -0.823 . . . . 10.0 111.044 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.0 m -118.18 122.78 43.89 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.52 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 13.4 tt -125.6 128.72 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.818 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.4 128.34 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 121.79 -0.569 . . . . 10.0 111.868 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.481 HG22 HD13 ' B' ' 202' ' ' ILE . 12.9 pt -123.83 129.09 74.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 177.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -121.5 126.78 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--O 1.237 0.44 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.329 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.235 0.34 0 CA-C-O 120.713 0.292 . . . . 10.0 110.223 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -91.23 138.22 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.151 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 34' ' ' ILE . 20.1 tt -108.48 128.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.18 101.99 14.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.977 0.417 . . . . 10.0 110.711 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.1 mt -94.6 155.54 16.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.46 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -118.05 126.66 52.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.125 0.488 . . . . 10.0 111.692 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 93.7 t -91.63 131.56 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.706 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.24 103.31 12.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 143.72 20.23 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.438 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.58 -17.18 62.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 10.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.89 -0.14 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.758 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.47 35.27 7.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.845 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -107.21 139.99 40.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.37 125.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.204 0.526 . . . . 10.0 110.308 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 38.6 t -122.05 124.35 71.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -87.15 110.44 20.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.221 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.481 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.6 113.01 24.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.034 0.445 . . . . 10.0 110.675 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -101.94 101.6 12.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.414 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -136.39 167.69 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.625 ' HZ2' ' P ' ' B' ' 203' ' ' SEP . 37.5 mttt -88.94 158.31 18.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.861 0.363 . . . . 10.0 110.393 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -69.12 -21.89 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.527 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -90.27 -8.44 50.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.258 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.421 HG23 HG13 ' B' ' 202' ' ' ILE . 91.4 m -79.43 124.15 84.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.405 -0.816 . . . . 10.0 111.779 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.09 143.24 99.87 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.847 2.365 . . . . 10.0 112.228 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.7 mt -76.58 -6.72 53.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.71 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -61.05 -46.35 91.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -28.94 69.15 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 10.0 tt -68.11 -52.22 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.04 -43.42 86.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.179 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -73.76 -38.89 64.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.002 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.91 71.37 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.871 0.367 . . . . 10.0 111.646 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -63.8 -37.44 87.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.0 t -67.93 -42.34 81.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.62 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.68 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.466 . . . . 10.0 109.94 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -70.02 -33.17 71.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.481 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.96 -30.96 50.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.322 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.42 44.7 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.076 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -143.52 -173.16 3.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.9 t -100.7 144.11 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.303 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 ttp -65.78 -21.2 66.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.101 0.477 . . . . 10.0 110.717 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -77.78 -12.67 60.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.16 0.505 . . . . 10.0 110.458 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -87.33 -8.15 57.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.426 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 58' ' ' ILE . 7.5 pt -134.0 171.34 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.368 . . . . 10.0 111.137 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -136.51 133.92 37.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -104.27 133.74 48.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.848 0.356 . . . . 10.0 110.089 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.66 142.58 51.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.724 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 81.7 t80 -136.54 120.46 17.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.427 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.19 14.91 9.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.485 0.66 . . . . 10.0 110.859 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -0.64 59.42 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.258 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -115.58 148.55 41.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.487 0.184 . . . . 10.0 110.864 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.73 153.7 68.75 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.591 2.194 . . . . 10.0 112.242 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.9 mt -104.32 135.53 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.922 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -94.84 158.86 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.47 25.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.731 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.39 18.9 2.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.38 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -100.46 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.262 0.553 . . . . 10.0 111.618 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.413 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -130.41 159.74 69.23 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 10.0 109.165 178.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 50.8 Cg_exo -55.22 -44.8 45.66 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.413 2.076 . . . . 10.0 112.016 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.33 -32.8 73.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.498 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.413 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 24.6 tp60 -68.38 -33.43 74.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.678 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.29 6.05 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.64 -0.254 . . . . 10.0 111.428 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 61.45 36.64 17.13 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.509 0.506 . . . . 10.0 110.741 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.3 mtp -77.47 142.15 39.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.179 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 6.1 mm-40 -122.68 175.61 6.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.799 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 9.1 t70 -61.72 137.18 58.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.363 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 6.6 mm-40 75.83 15.24 2.57 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 124.026 0.829 . . . . 10.0 111.952 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -68.39 140.49 55.84 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -104.35 129.72 52.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.05 127.48 69.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.201 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -94.02 135.17 35.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 10.0 111.221 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 128.85 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.981 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.82 158.82 29.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.576 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -92.6 151.74 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.058 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -82.77 145.32 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -66.74 139.02 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 10.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.57 -37.42 27.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.677 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.194 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.368 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 121.06 39.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 119.728 -0.789 . . . . 10.0 111.176 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.5 125.21 42.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.638 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.37 132.5 8.56 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.037 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 18.5 m -119.16 123.39 44.27 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 117.95 0.875 . . . . 10.0 109.681 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.407 HD12 HG21 ' B' ' 200' ' ' ILE . 29.9 mt -126.33 130.81 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.731 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -121.74 130.12 74.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.421 HG13 HG23 ' A' ' 38' ' ' THR . 8.6 pt -119.9 133.44 66.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.625 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.417 ' HB2' HG21 ' A' ' 38' ' ' THR . 22.5 t70 -122.27 129.35 52.13 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.971 -0.751 . . . . 10.0 108.971 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.633 -179.339 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -93.14 168.7 10.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.606 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.0 tt -125.95 141.15 46.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -107.55 104.81 14.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.22 0.533 . . . . 10.0 111.27 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 mt -99.83 166.49 11.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.316 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 83' ' ' THR . 95.8 mttt -136.57 137.52 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.318 0.58 . . . . 10.0 111.993 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 48.6 t -114.16 129.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.66 116.91 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.581 -0.282 . . . . 10.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.54 165.61 52.9 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.865 -0.684 . . . . 10.0 111.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.83 -11.31 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 10.0 111.318 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.14 -14.09 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.67 -8.15 29.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.652 -0.785 . . . . 10.0 113.325 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.7 p -63.25 141.84 58.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.18 126.2 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.239 0.542 . . . . 10.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 61.8 t -112.18 122.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.637 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -88.94 118.01 28.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.332 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.25 106.33 17.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.937 0.399 . . . . 10.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -98.72 98.27 9.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -134.57 174.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.866 -178.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 34' ' ' ILE . 28.0 mttt -95.0 159.54 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -65.79 -23.25 66.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.495 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -94.69 -1.02 53.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 111.346 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.476 HG22 HG13 ' B' ' 202' ' ' ILE . 55.5 m -78.56 122.68 85.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.06 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.89 136.03 65.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.829 2.353 . . . . 10.0 112.459 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.49 -9.63 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -62.67 -35.78 80.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.389 . . . . 10.0 110.331 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -69.2 -30.32 68.48 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.208 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.89 -49.52 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.9 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 56.4 mtm -62.49 -43.9 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.49 -43.68 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.77 71.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.818 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.84 -34.11 64.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.82 0.343 . . . . 10.0 110.79 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 44' ' ' MET . 2.3 t -67.2 -39.96 86.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.67 -32.95 74.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.511 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 66.3 mtt180 -69.46 -26.17 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.674 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -92.08 -14.67 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.283 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.94 38.36 84.66 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.488 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.1 mt -129.26 165.59 21.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 10.0 110.666 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -74.47 139.6 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 10.0 110.408 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.2 ttp -68.26 -23.65 64.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -74.98 -12.45 60.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.17 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -86.48 -13.24 46.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.105 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.6 pt -120.51 171.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 10.0 111.701 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -138.43 128.01 24.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.871 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -102.16 130.29 48.75 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -127.02 136.08 51.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.245 0.545 . . . . 10.0 111.134 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -132.03 128.37 38.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.068 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.67 22.02 12.95 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.758 0.79 . . . . 10.0 109.795 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.66 -2.34 87.27 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.96 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -111.22 141.43 24.33 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.927 0.363 . . . . 10.0 110.831 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.72 138.73 71.03 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.47 2.113 . . . . 10.0 111.281 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.1 mt -88.94 139.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.8 0.333 . . . . 10.0 110.87 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.9 162.1 13.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.883 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.32 5.27 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.191 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 11.0 13.97 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -106.75 163.81 12.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 10.0 111.881 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.96 163.68 48.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.504 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.53 -42.62 63.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.334 2.023 . . . . 10.0 111.653 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.71 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.86 -37.82 87.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 10.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.81 0.84 56.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.63 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 56.64 47.65 18.0 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.556 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 93.0 mtp -78.56 159.78 27.96 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.267 -0.879 . . . . 10.0 111.38 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.44 -179.97 5.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.892 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.91 155.86 37.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.65 20.32 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.556 0.535 . . . . 10.0 111.027 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.15 121.45 25.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.342 -0.39 . . . . 10.0 109.952 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -91.26 133.3 35.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.923 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.66 131.68 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.409 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -93.92 137.38 33.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.064 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.8 120.31 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -115.14 158.75 21.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.597 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -96.6 141.86 29.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.672 0.273 . . . . 10.0 110.654 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -72.69 143.67 48.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -58.44 144.77 40.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.15 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -132.16 78.5 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.515 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.325 -179.543 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.84 122.75 42.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.187 -0.605 . . . . 10.0 110.373 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.14 129.51 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.7 129.48 7.88 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.401 -1.08 . . . . 10.0 110.401 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 55.2 m -122.04 124.43 43.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.206 1.003 . . . . 10.0 110.826 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.454 HG12 ' CZ ' ' A' ' 50' ' ' ARG . 31.0 mt -125.08 129.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.246 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -121.69 126.59 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.494 HD13 HG22 ' B' ' 202' ' ' ILE . 5.5 pt -123.68 132.33 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 120.986 0.422 . . . . 10.0 110.181 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -118.26 125.1 49.44 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.734 -179.564 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 C--O 1.232 0.16 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -79.4 127.21 31.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.543 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.2 tt -95.5 138.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -95.39 111.0 22.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.025 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.44 153.36 23.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.116 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -116.87 133.34 56.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.928 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 35.9 t -101.12 124.25 54.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.446 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.98 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.907 0.384 . . . . 10.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.8 156.73 23.21 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.787 -0.721 . . . . 10.0 111.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -72.8 -32.91 65.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.607 0.241 . . . . 10.0 111.187 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.36 -15.46 37.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.354 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.88 -10.29 15.72 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.37 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 p -56.87 129.98 43.81 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.026 0.413 . . . . 10.0 110.723 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.43 124.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.531 0.682 . . . . 10.0 110.719 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 99.2 t -120.61 127.76 75.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.83 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -93.52 124.86 37.8 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.02 122.42 45.2 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.127 0.489 . . . . 10.0 111.758 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -102.43 109.5 21.16 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CG1' ' HB ' ' A' ' 38' ' ' THR . 7.1 tt -142.22 159.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.866 -178.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.546 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 24.3 mttp -93.52 170.57 9.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.907 0.384 . . . . 10.0 110.19 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -68.93 -32.61 72.34 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -91.28 -6.63 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.546 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 3.6 m -77.32 123.05 86.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.518 0.199 . . . . 10.0 111.503 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.87 145.64 98.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.681 2.254 . . . . 10.0 112.689 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.81 -5.1 49.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.32 -47.68 84.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.479 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -28.52 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.251 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.39 -45.62 90.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.595 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 72.0 mtm -68.72 -41.7 78.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.032 0.444 . . . . 10.0 110.606 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.29 -46.75 69.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 10.0 112.447 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' ARG . . . -54.2 -48.93 70.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 10.0 111.609 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 85.2 t80 -67.82 -40.59 83.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.884 0.373 . . . . 10.0 110.583 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.1 t -63.52 -43.35 97.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.652 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.41 -37.29 85.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 86.0 mtt180 -69.14 -23.18 63.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.163 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 8.8 mm100 -85.49 -15.38 43.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.182 0.515 . . . . 10.0 109.751 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.68 40.66 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.631 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.2 mt -130.76 172.87 11.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.926 0.393 . . . . 10.0 110.943 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 t -90.1 144.18 26.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.385 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.2 ttp -64.06 -15.46 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 10.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 ttt85 -82.76 -15.68 50.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.671 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -83.56 -34.22 25.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.64 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.45 168.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.06 0.457 . . . . 10.0 111.57 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -131.7 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.792 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.92 126.99 45.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.384 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -125.73 144.64 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.297 0.57 . . . . 10.0 111.61 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -132.02 123.98 28.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.459 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 64.61 19.47 11.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.608 0.718 . . . . 10.0 110.36 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.87 -10.12 70.43 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.663 -0.699 . . . . 10.0 113.03 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.9 143.2 27.11 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.873 0.336 . . . . 10.0 110.64 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.2 140.72 96.15 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.818 2.345 . . . . 10.0 112.121 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.9 mt -81.91 127.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.015 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -71.49 148.77 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.415 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.85 -9.17 58.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 10.0 112.137 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.56 27.12 8.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.116 0.484 . . . . 10.0 111.029 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.44 159.39 15.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.544 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.67 159.97 61.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.141 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.52 -43.09 48.4 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.553 2.168 . . . . 10.0 111.789 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.37 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.321 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -77.33 -30.54 54.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.689 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.93 1.44 57.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.239 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 60.03 36.33 21.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.797 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.5 mtp -70.82 145.93 50.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.299 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 7.7 mm-40 -113.59 176.95 4.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -72.34 140.54 48.54 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.2 mt-10 75.71 10.49 3.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.941 0.776 . . . . 10.0 111.062 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -64.53 140.14 58.84 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -105.96 135.79 46.77 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.4 mt -108.65 132.9 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.8 136.73 33.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.916 0.389 . . . . 10.0 111.693 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -118.18 118.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.938 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -116.71 172.74 7.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -117.98 145.99 44.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.661 0.267 . . . . 10.0 110.721 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -79.69 138.17 37.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.064 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -64.93 132.63 49.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.135 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -26.73 62.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 10.0 110.781 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.78 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 24.4 m -118.68 127.41 53.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.896 0.379 . . . . 10.0 111.1 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.7 128.26 50.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.419 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.85 132.29 8.61 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.734 -0.546 . . . . 10.0 111.734 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 48.6 m -119.58 125.09 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.946 0.873 . . . . 10.0 110.512 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 36.8 mt -124.54 129.54 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.944 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.43 129.27 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 4.9 pt -121.99 130.56 74.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.201 0.524 . . . . 10.0 110.272 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.419 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -117.09 126.51 52.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.179 -0.675 . . . . 10.0 109.179 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.109 178.53 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.413 ' NE2' ' HE3' ' A' ' 35' ' ' LYS . 79.9 m80 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.7 tt -105.4 123.43 59.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -90.81 107.23 19.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.289 0.566 . . . . 10.0 111.157 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -98.24 161.93 13.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.234 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.2 mttt -128.8 140.59 51.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 10.0 111.581 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.461 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 63.9 t -113.89 125.99 71.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.69 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.352 . . . . 10.0 110.897 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.76 158.4 52.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.753 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -75.64 -4.73 41.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.334 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -99.8 -30.31 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 10.0 109.928 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -14.96 5.35 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -61.79 137.43 58.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.181 0.515 . . . . 10.0 111.031 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -109.28 127.07 66.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.204 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 5.6 t -119.34 122.5 69.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.77 121.59 40.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 3.0 m-85 -103.28 116.32 32.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.371 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -97.05 98.19 9.86 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -134.37 172.61 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.74 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.3 mttt -101.08 160.88 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.896 -0.322 . . . . 10.0 110.513 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -65.81 -25.98 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -87.15 -11.64 49.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.293 0.568 . . . . 10.0 110.057 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.495 HG21 HG13 ' B' ' 202' ' ' ILE . 98.5 m -75.89 121.91 85.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.171 -0.922 . . . . 10.0 111.536 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 31.9 Cg_exo -58.64 141.14 97.32 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.924 2.416 . . . . 10.0 112.222 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -76.77 -6.33 51.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.87 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.634 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.51 -27.09 64.89 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 8.5 tt -65.63 -47.01 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.609 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 41' ' ' SER . 51.7 mttt -67.59 -46.3 73.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.344 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.15 74.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.702 0.287 . . . . 10.0 111.606 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 t80 -69.49 -40.03 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.335 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.38 -38.73 90.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.946 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 72.9 mm-40 -62.1 -35.36 78.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.93 0.395 . . . . 10.0 110.662 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -73.76 -23.89 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.634 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.1 mm100 -81.49 -30.62 33.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 31.69 25.96 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.44 -0.8 . . . . 10.0 112.591 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 mt -135.91 171.39 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.915 0.388 . . . . 10.0 111.274 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.5 t -76.12 144.18 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.267 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.2 ttp -69.65 -10.74 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.214 0.531 . . . . 10.0 110.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -84.28 -9.82 58.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -88.58 -29.7 19.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 10.0 111.323 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 pt -105.36 167.82 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.379 . . . . 10.0 111.664 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -136.91 133.2 35.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.976 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -104.66 134.3 48.06 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -130.02 139.92 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 10.0 111.443 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -132.46 119.82 21.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.848 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 67.07 25.89 9.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.893 0.854 . . . . 10.0 109.741 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.5 2.46 90.62 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.372 -0.831 . . . . 10.0 112.64 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 60.9 mm-40 -114.5 140.34 25.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 122.767 -0.254 . . . . 10.0 110.452 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.7 Cg_exo -67.76 141.29 53.88 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.54 2.16 . . . . 10.0 111.93 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.92 142.83 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.783 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.12 170.29 8.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.812 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -84.76 21.11 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 10.0 111.281 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 p -129.42 15.17 6.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.129 0.49 . . . . 10.0 110.67 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -104.43 151.68 23.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.501 . . . . 10.0 111.912 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 159.21 73.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.581 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.84 -39.29 88.16 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.36 2.04 . . . . 10.0 112.07 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.87 -10.4 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -95.38 -31.67 13.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 10.0 110.301 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.97 6.5 48.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.267 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 57.8 43.45 21.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.298 0.571 . . . . 10.0 111.202 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.8 mtp -83.66 147.4 27.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.289 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.1 tm-20 -120.83 -177.48 3.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.711 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -68.03 144.07 55.27 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.119 -0.232 . . . . 10.0 110.579 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 10.9 mt-10 72.15 12.83 5.85 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.884 0.74 . . . . 10.0 111.535 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.42 123.75 21.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.5 m -94.8 136.95 34.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.126 0.489 . . . . 10.0 112.094 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.1 mt -112.3 136.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.186 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.16 137.37 32.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.769 0.319 . . . . 10.0 110.793 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.6 t -121.27 114.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -113.0 179.92 3.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.758 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.08 150.94 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.83 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.82 147.29 28.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -71.03 129.83 39.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 p -86.6 12.52 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.383 . . . . 10.0 111.581 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.0 -179.85 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 m -117.83 123.86 46.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.436 0.636 . . . . 10.0 111.534 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.09 130.21 51.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.19 -0.914 . . . . 10.0 109.773 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 198' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.75 130.93 8.49 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.658 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 124.11 47.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 117.57 0.685 . . . . 10.0 110.089 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 12.5 mt -124.61 130.15 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.477 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.57 128.58 76.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.495 HG13 HG21 ' A' ' 38' ' ' THR . 6.5 pt . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.04 0.448 . . . . 10.0 109.879 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.416 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.054 0.454 . . . . 10.0 110.592 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 tt -94.79 137.69 22.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.403 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -110.14 103.85 12.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.902 0.382 . . . . 10.0 110.637 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.92 155.28 19.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.638 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -116.56 113.67 23.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -100.23 106.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.53 132.43 52.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.57 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.9 168.07 29.93 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -74.86 -12.72 60.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.031 0.443 . . . . 10.0 111.04 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.26 -30.59 38.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.581 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.89 -10.5 7.47 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.737 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -78.56 136.52 37.55 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.812 0.306 . . . . 10.0 110.26 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.19 129.29 74.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.064 0.459 . . . . 10.0 110.233 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 120.04 61.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.562 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -76.57 123.91 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CZ ' HG21 ' B' ' 200' ' ' ILE . 0.7 OUTLIER -102.08 107.01 17.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 -178.102 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -87.85 99.76 12.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.989 -1.115 . . . . 10.0 107.989 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.21 166.49 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.656 -179.181 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 34' ' ' ILE . 48.2 mttt -99.08 156.8 16.75 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -64.52 -20.59 66.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.577 0.227 . . . . 10.0 111.475 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -91.99 -6.85 50.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.092 0.473 . . . . 10.0 110.598 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 42.4 m -79.39 123.74 84.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.259 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.811 ' HA ' HG22 ' A' ' 72' ' ' THR . 31.8 Cg_exo -59.73 150.97 73.8 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.998 2.465 . . . . 10.0 113.019 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.99 -3.14 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.271 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 p -60.7 -48.48 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 110.276 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -67.52 -28.24 67.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.213 179.182 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 3.6 tt -64.61 -42.77 95.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.383 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.2 mtm -76.92 -24.0 52.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.699 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -92.09 -41.05 10.71 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.026 0.441 . . . . 10.0 111.339 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -65.53 -35.21 80.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.446 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.41 -40.12 93.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.971 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.43 -28.27 68.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.946 0.403 . . . . 10.0 110.555 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' B' ' 200' ' ' ILE . 33.1 mtt180 -70.27 -44.18 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.73 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.5 -22.63 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.792 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.69 51.15 5.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.478 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -136.32 179.64 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.98 145.5 25.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.4 ttp -63.26 -19.81 64.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.786 0.327 . . . . 10.0 111.553 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -88.03 -3.43 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.836 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -93.46 -24.05 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 10.0 110.666 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 pt -116.95 157.75 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -128.83 142.91 50.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.512 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -115.36 142.58 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.463 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -131.54 147.16 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.074 0.464 . . . . 10.0 111.455 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 70.1 t80 -145.41 120.8 10.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.323 -0.853 . . . . 10.0 108.94 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 63.14 24.21 14.3 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.626 0.727 . . . . 10.0 110.337 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.1 -3.47 87.06 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.656 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -106.18 152.01 40.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.18 152.51 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.353 2.035 . . . . 10.0 111.419 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.07 130.3 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.001 0.429 . . . . 10.0 110.629 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -101.4 162.24 13.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.87 22.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.2 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.63 17.0 6.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.473 -0.33 . . . . 10.0 111.521 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -119.95 163.65 17.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.124 0.488 . . . . 10.0 112.032 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.811 HG22 ' HA ' ' A' ' 39' ' ' PRO . 65.2 p -136.87 165.2 36.87 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.945 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -56.84 -39.34 92.08 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.093 1.862 . . . . 10.0 111.195 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.04 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.037 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.444 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.3 tp60 -73.22 -32.3 64.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.38 . . . . 10.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.35 -2.56 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 58.57 49.07 10.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.229 0.538 . . . . 10.0 110.399 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.471 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 85.9 mtp -79.95 156.52 27.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.332 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.6 OUTLIER -116.44 175.72 5.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.893 -179.514 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.04 143.61 55.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.811 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.32 16.67 9.29 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.682 0.614 . . . . 10.0 111.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.77 128.45 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -92.27 130.33 37.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.241 0.543 . . . . 10.0 112.292 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.404 HD13 HD21 ' A' ' 43' ' ' LEU . 14.5 mt -102.77 134.69 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.167 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.63 139.7 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.82 0.343 . . . . 10.0 111.618 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.8 t -123.87 124.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -128.79 171.16 12.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.226 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -106.44 154.08 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 10.0 110.309 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -81.75 137.08 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.6 111.78 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.205 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.28 63.37 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.352 -179.678 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.44 123.26 44.77 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.586 0.708 . . . . 10.0 110.582 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.17 128.14 47.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.658 -1.156 . . . . 10.0 109.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.57 132.84 9.19 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.695 -0.764 . . . . 10.0 111.769 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 64.0 m -117.98 123.11 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.392 0.596 . . . . 10.0 110.188 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.543 HG21 ' CZ ' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -124.46 130.88 73.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.171 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.22 126.35 74.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.636 -0.425 . . . . 10.0 110.895 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.426 HG13 HG21 ' A' ' 38' ' ' THR . 11.4 pt . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 m80 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.914 0.388 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.45 136.67 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.836 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -111.08 113.66 26.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 10.0 110.978 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.3 mt -101.61 164.21 11.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.689 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -128.67 104.19 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.641 0.257 . . . . 10.0 110.972 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.04 130.85 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.45 142.49 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.177 0.513 . . . . 10.0 112.261 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.01 166.0 13.36 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.563 -1.015 . . . . 10.0 110.563 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.67 -2.21 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.274 0.537 . . . . 10.0 111.907 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -96.17 -30.04 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.804 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.55 -11.29 7.54 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.29 -0.957 . . . . 10.0 112.954 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 p -64.19 149.74 47.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.831 0.316 . . . . 10.0 110.189 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.14 126.94 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 10.0 110.242 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.54 HG12 ' HB ' ' B' ' 200' ' ' ILE . 2.2 t -118.06 115.66 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.209 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -67.71 122.19 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.397 -0.819 . . . . 10.0 108.809 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -102.47 100.7 10.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -178.646 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -92.18 104.72 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.81 173.46 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 34' ' ' ILE . 42.4 mttp -97.1 172.6 7.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.56 -16.57 60.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.051 -0.405 . . . . 10.0 111.722 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -105.43 8.44 33.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.993 0.425 . . . . 10.0 110.947 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.487 HG21 HG13 ' B' ' 202' ' ' ILE . 4.4 m -84.85 123.15 74.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.775 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 23.7 Cg_exo -62.86 148.6 93.25 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 10.0 112.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 94.6 mt -80.54 -1.58 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.346 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -47.15 85.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.988 0.423 . . . . 10.0 110.23 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -67.1 -28.46 68.19 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.104 179.439 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -61.95 -42.41 99.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.748 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.9 mtm -74.74 -41.48 60.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.463 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -71.42 -42.81 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.08 89.08 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.678 0.275 . . . . 10.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.29 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.12 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -62.26 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.429 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.34 -36.69 79.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.475 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -61.89 -38.57 88.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -85.01 -25.26 27.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.466 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.66 42.39 8.38 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.909 -0.662 . . . . 10.0 112.185 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -125.28 -174.41 3.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.068 0.461 . . . . 10.0 110.721 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 t -106.63 139.07 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.389 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttp -64.36 -17.29 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 10.0 111.295 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -84.91 -18.75 33.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 10.0 109.999 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -88.5 -8.5 54.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.982 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.67 168.0 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.023 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -137.73 146.74 44.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.913 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 67' ' ' ILE . 95.1 m-85 -120.45 133.55 55.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.41 . . . . 10.0 110.697 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.33 144.97 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.057 0.456 . . . . 10.0 111.099 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 77.2 t80 -141.77 123.75 15.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 62.2 26.42 15.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.618 0.574 . . . . 10.0 111.248 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 -4.82 85.64 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.06 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -112.92 144.25 30.7 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.727 0.299 . . . . 10.0 110.672 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.52 133.81 26.92 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.642 2.228 . . . . 10.0 112.174 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.452 HD12 ' HB3' ' A' ' 60' ' ' PHE . 16.8 mt -81.58 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.471 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.39 178.87 5.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -87.47 -13.87 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 10.0 110.282 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.5 p -105.73 23.48 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.324 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.82 139.18 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.957 0.408 . . . . 10.0 111.507 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.19 158.41 50.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.202 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -42.34 69.75 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.55 2.167 . . . . 10.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.09 59.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.319 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -67.86 -37.41 81.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.214 0.531 . . . . 10.0 110.192 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.14 -2.36 52.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.442 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 54.92 53.06 10.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.865 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 79.9 mtp -82.52 149.5 27.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.24 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -110.4 -171.07 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.76 145.03 36.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 65.24 16.47 10.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.821 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.31 132.48 48.48 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 9.3 m -100.93 123.4 45.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.1 mt -94.73 136.14 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 10.0 108.902 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -91.46 125.98 36.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.866 0.365 . . . . 10.0 111.108 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.77 130.09 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.3 162.77 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.787 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -97.56 148.58 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.381 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -79.97 140.75 36.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -58.14 146.93 31.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.22 -9.76 41.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.229 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.95 125.88 50.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.193 -0.603 . . . . 10.0 110.861 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.75 125.35 46.36 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.026 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 198' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.43 133.65 9.33 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -115.77 124.23 50.23 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.54 ' HB ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -122.65 128.5 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.029 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.53 128.78 72.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 122.0 -0.438 . . . . 10.0 111.434 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.487 HG13 HG21 ' A' ' 38' ' ' THR . 9.4 pt . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.455 -0.943 . . . . 10.0 108.455 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.423 ' NE2' ' HE2' ' A' ' 35' ' ' LYS . 43.4 m80 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.105 0.478 . . . . 10.0 111.016 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.9 tt -108.58 131.91 57.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.285 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -98.74 124.68 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.073 0.464 . . . . 10.0 111.176 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt -115.31 148.1 39.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.181 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -106.95 122.38 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.028 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 59.2 t -88.64 129.78 39.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.29 19.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 10.0 111.413 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.76 150.9 20.56 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.118 -0.563 . . . . 10.0 111.708 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -74.33 -6.05 45.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.785 0.326 . . . . 10.0 111.669 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.3 -19.03 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.096 0.474 . . . . 10.0 110.541 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -6.05 24.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.953 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -73.26 131.27 41.75 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 117.23 0.515 . . . . 10.0 109.612 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -110.17 129.63 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.203 0.525 . . . . 10.0 110.83 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 93.7 t -118.8 126.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.507 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -92.87 115.49 28.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.388 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.85 116.39 29.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -100.98 96.05 6.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.33 169.05 19.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.414 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HE2' ' NE2' ' A' ' 17' ' ' HIS . 14.0 mtmt -95.11 154.83 16.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -65.46 -28.5 69.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.978 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -91.67 9.67 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 10.0 111.647 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.4 m -102.08 123.6 42.91 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.735 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.471 ' HA ' HG22 ' A' ' 72' ' ' THR . 51.2 Cg_exo -54.65 145.7 58.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.248 2.632 . . . . 10.0 112.836 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.4 -1.59 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.122 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.99 -44.4 91.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.09 -29.46 62.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.306 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD21 HD13 ' A' ' 84' ' ' ILE . 1.5 tt -63.05 -40.01 96.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.059 0.457 . . . . 10.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.2 mtm -75.97 -38.98 56.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.421 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.04 -51.36 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.116 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.95 79.58 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 10.0 110.496 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 55' ' ' MET . 8.0 t -71.52 -29.28 64.61 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -63.57 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.448 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.454 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.6 -30.99 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.02 27.55 37.12 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.793 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.4 mt -137.17 170.76 15.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.705 0.288 . . . . 10.0 110.875 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.39 138.68 41.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.342 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.501 ' HA ' ' SG ' ' A' ' 48' ' ' CYS . 40.3 ttp -65.5 -20.74 66.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.075 0.464 . . . . 10.0 110.809 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -77.52 -12.48 59.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.972 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -80.15 -29.25 38.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 10.0 111.021 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 pt -113.07 171.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.368 . . . . 10.0 111.468 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -130.97 146.86 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.059 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -117.85 131.48 56.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.309 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -126.67 151.28 48.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 10.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 69.6 t80 -148.63 124.92 10.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.173 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t0 64.92 21.93 12.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.533 0.682 . . . . 10.0 109.805 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.65 -7.85 80.82 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.817 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 59.9 mm-40 -106.08 147.24 34.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 122.603 -0.351 . . . . 10.0 110.89 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 7.6 Cg_exo -72.26 130.7 16.71 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.757 2.305 . . . . 10.0 112.458 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mt -77.85 137.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -105.17 165.2 11.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -70.29 -12.26 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.76 20.19 19.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.347 . . . . 10.0 111.385 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -96.66 146.04 25.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.144 0.497 . . . . 10.0 111.344 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -129.11 157.42 76.01 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.893 179.048 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.83 -41.93 70.18 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.315 2.01 . . . . 10.0 111.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.13 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.702 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.54 -39.19 38.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 10.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.1 mt -91.98 8.24 38.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 55.28 45.4 25.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.391 0.615 . . . . 10.0 110.567 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.543 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 58.8 mtp -78.77 155.69 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.384 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.89 176.16 8.94 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.247 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.4 t70 -65.72 145.75 55.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.85 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 20.7 mt-10 73.27 17.96 3.85 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.89 0.743 . . . . 10.0 111.78 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 153.01 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 m -110.79 124.56 52.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.341 0.591 . . . . 10.0 112.09 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.419 HD13 HD21 ' A' ' 43' ' ' LEU . 12.8 mt -99.36 121.03 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.759 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.31 124.56 35.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.21 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.27 128.01 68.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.057 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -125.98 179.15 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.374 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -118.12 161.71 19.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.742 0.306 . . . . 10.0 110.619 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -94.32 138.56 32.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.346 -0.388 . . . . 10.0 109.954 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.13 124.22 19.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.239 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -3.09 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.311 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.531 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.872 179.694 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.1 m -117.5 123.24 45.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.45 0.643 . . . . 10.0 111.538 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.63 128.48 46.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.026 -0.988 . . . . 10.0 110.09 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.36 131.46 8.14 Favored Glycine 0 C--O 1.22 -0.746 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.412 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.18 124.27 46.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.056 0.928 . . . . 10.0 110.001 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 18.9 mt -126.6 130.27 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.059 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.79 131.25 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 122.176 -0.328 . . . . 10.0 110.154 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.324 -0.513 0 C-N-CA 120.476 -0.489 . . . . 10.0 110.339 179.681 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.416 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 63.3 m80 . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 120.646 0.26 . . . . 10.0 110.457 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 tt -96.65 124.22 49.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -92.48 121.57 34.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.034 0.445 . . . . 10.0 110.717 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -115.0 143.63 44.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -103.81 126.97 51.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 10.0 111.379 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.7 t -90.13 121.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.81 98.45 10.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.754 0.312 . . . . 10.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.24 148.94 28.7 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.911 -0.876 . . . . 10.0 110.911 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -67.3 -13.53 62.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 10.0 111.413 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -88.85 -12.77 40.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.745 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.15 -4.3 44.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.458 -0.877 . . . . 10.0 114.121 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 p -74.7 160.62 30.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 117.636 0.718 . . . . 10.0 111.065 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.57 130.56 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.236 0.541 . . . . 10.0 111.049 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 27.9 t -118.06 121.99 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.883 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -87.82 107.84 18.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.793 -0.64 . . . . 10.0 109.653 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.2 m-85 -94.18 109.28 21.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -94.73 99.22 11.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.14 162.53 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.358 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 34' ' ' ILE . 65.2 mttt -88.85 167.36 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.716 0.293 . . . . 10.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -73.8 -18.96 60.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -92.0 -20.7 21.07 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.733 -0.387 . . . . 10.0 111.474 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.51 120.67 64.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.285 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.485 ' HA ' HG22 ' A' ' 72' ' ' THR . 39.1 Cg_exo -59.62 142.34 98.66 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.683 2.255 . . . . 10.0 111.554 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.23 -4.99 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.782 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.29 -33.36 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -66.91 -38.52 86.38 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.415 -0.812 . . . . 10.0 109.182 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.68 -27.13 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.042 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 55' ' ' MET . 77.5 mtm -85.11 -5.53 59.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.139 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -117.22 -34.88 4.2 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.76 -59.24 4.87 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.924 0.712 . . . . 10.0 112.924 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -69.68 -30.92 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.008 0.432 . . . . 10.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.77 -42.81 98.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.362 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.31 -30.67 68.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.325 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.48 -40.17 81.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 10.0 110.034 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -79.82 -20.12 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.33 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.69 31.91 48.01 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.582 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.5 mt -107.4 175.53 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.529 . . . . 10.0 110.999 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -94.36 142.52 27.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.03 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 44' ' ' MET . 7.8 ttp -69.64 -14.84 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 10.0 109.855 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.34 -12.67 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.735 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -82.44 -32.77 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.628 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 pt -110.01 168.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.399 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -133.86 142.95 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.804 -0.634 . . . . 10.0 109.92 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -116.8 125.31 51.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.574 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . 79.7 mtt180 -122.86 146.28 47.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.45 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 9.4 t80 -137.9 113.2 9.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.696 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 60.9 40.8 15.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.902 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.9 -40.74 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.723 . . . . 10.0 113.473 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.6 mm-40 -89.42 133.62 34.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.986 0.393 . . . . 10.0 111.354 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HA ' ' HA ' ' A' ' 61' ' ' ARG . 24.4 Cg_exo -64.08 149.96 89.33 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.968 2.445 . . . . 10.0 112.119 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.9 mt -88.37 129.13 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.828 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -89.87 163.06 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -83.16 22.95 0.92 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.59 29.3 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.768 0.318 . . . . 10.0 111.6 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -126.68 152.34 46.88 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 111.59 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 39' ' ' PRO . 7.7 p -119.02 164.95 18.43 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.929 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.714 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -57.52 -38.18 94.79 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.435 2.09 . . . . 10.0 111.864 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.5 -33.85 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.561 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -64.03 -36.21 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.48 0.45 56.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.124 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 55.99 51.16 12.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.126 0.488 . . . . 10.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.714 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 38.4 mtp -82.61 156.15 24.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.183 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -110.99 172.9 6.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.37 145.72 37.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 62.65 38.23 12.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.28 -177.67 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.63 . . . . 10.0 109.422 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -125.44 138.98 54.02 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.36 129.85 70.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.227 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.25 128.69 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 10.0 111.345 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.93 112.62 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.389 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -113.99 173.81 6.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.399 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -118.06 144.85 45.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.435 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -73.05 143.04 47.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.16 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -60.34 126.89 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.366 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 3.64 54.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.342 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.058 -0.592 . . . . 10.0 111.99 179.689 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 6.7 m -118.13 125.64 50.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.347 0.594 . . . . 10.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.38 128.79 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.462 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.55 131.49 8.58 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.817 -0.913 . . . . 10.0 110.817 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.7 m -117.76 123.68 46.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.815 0.807 . . . . 10.0 110.257 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.518 HD12 ' CE1' ' A' ' 32' ' ' PHE . 22.6 mt -125.47 131.35 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.083 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.0 p -122.74 126.69 74.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.226 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 m80 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.935 0.397 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.3 tt -128.58 138.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 55.0 m-80 -103.6 130.86 51.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.991 0.425 . . . . 10.0 111.13 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.9 mt -116.58 163.81 15.53 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 83' ' ' THR . 98.5 mttt -118.54 135.18 54.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.389 0.614 . . . . 10.0 112.23 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.57 117.7 52.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.366 -0.975 . . . . 10.0 108.366 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.81 48.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.481 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.65 170.58 54.23 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.703 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -72.97 -13.5 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 10.0 111.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.57 -10.8 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.037 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.7 -4.49 36.8 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.989 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -69.42 143.0 53.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -127.1 130.0 71.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.813 0.339 . . . . 10.0 110.725 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -115.57 123.34 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.183 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -80.94 115.02 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -93.5 107.93 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.842 -178.682 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.13 102.81 14.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.74 171.84 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.598 -178.592 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 34' ' ' ILE . 32.1 mttp -94.03 159.68 15.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -71.74 -7.36 47.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -101.86 -5.48 24.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 10.0 110.693 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.3 m -78.69 119.45 77.33 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.981 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.99 150.96 81.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.825 2.35 . . . . 10.0 111.816 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 35.3 mt -71.67 -8.97 57.39 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -64.27 -35.23 80.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 10.0 109.733 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.636 ' HB3' HD12 ' B' ' 202' ' ' ILE . 14.2 tttp -64.41 -43.33 94.73 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.01 -0.995 . . . . 10.0 110.218 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HG ' ' CZ ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -57.55 -43.85 84.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.031 179.605 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 50.0 ttm -65.37 -41.33 93.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.213 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -82.33 -41.61 19.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -72.44 -27.97 62.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 10.0 110.495 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 58' ' ' ILE . 6.4 t -62.3 -37.63 86.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.581 -0.525 . . . . 10.0 109.581 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -68.43 -31.97 71.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.602 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -68.38 -25.56 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -97.45 -19.73 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.48 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.1 46.27 59.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.44 -179.78 5.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.629 0.252 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -93.14 144.95 24.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.057 0.456 . . . . 10.0 110.705 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.8 -16.4 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.628 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt85 -92.08 2.09 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -107.2 -29.82 9.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.94 0.4 . . . . 10.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.532 HD11 ' SG ' ' A' ' 48' ' ' CYS . 9.1 pt -110.71 137.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.72 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -116.73 144.94 43.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.404 ' CE1' ' HG3' ' A' ' 44' ' ' MET . 94.5 m-85 -119.37 140.12 50.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.834 0.35 . . . . 10.0 110.779 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.2 145.4 51.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 10.0 111.963 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -142.44 134.44 27.25 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.926 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 59.92 27.57 16.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 10.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.85 8.3 87.3 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.757 -0.656 . . . . 10.0 113.201 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -124.1 149.65 61.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.986 0.393 . . . . 10.0 111.098 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.34 136.87 38.33 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.512 2.141 . . . . 10.0 111.485 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.26 129.7 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.843 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -88.3 164.6 15.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -78.66 -6.22 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -111.01 11.61 22.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.58 0.705 . . . . 10.0 110.462 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 11.4 m-20 -83.16 141.77 31.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 151.09 56.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 51.7 Cg_exo -53.98 -45.51 40.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.785 2.324 . . . . 10.0 112.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.76 -17.81 61.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.344 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -83.64 -34.12 25.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 10.0 110.653 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt -92.08 9.75 32.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 55.77 48.97 17.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 91.7 mtp -82.91 153.43 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.759 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.25 -160.47 1.14 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.2 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 156.67 37.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.582 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 62.03 25.87 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 112.093 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.22 126.92 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 4.5 m -114.89 128.05 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.92 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.91 131.42 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.873 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.11 138.83 32.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.565 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -111.73 132.51 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.79 167.39 18.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -123.55 147.7 47.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 10.0 110.777 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.21 154.49 41.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -72.84 141.25 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.371 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -27.44 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.92 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 C-N-CA 120.886 -0.673 . . . . 10.0 111.704 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.237 0.423 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.05 120.69 38.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.604 -0.838 . . . . 10.0 110.825 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.35 127.19 43.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.094 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.02 131.22 8.34 Favored Glycine 0 N--CA 1.437 -1.239 0 C-N-CA 120.352 -0.927 . . . . 10.0 110.79 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.72 122.97 44.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.686 0.743 . . . . 10.0 109.018 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 15.6 tt -125.13 127.89 72.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.484 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.7 p -122.74 128.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.468 -0.493 . . . . 10.0 110.623 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 42' ' ' LYS . 16.0 pt . . . . . 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 10.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.8 m80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.54 0.209 . . . . 10.0 110.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 34' ' ' ILE . 17.7 tt -107.76 136.81 41.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -98.5 108.92 21.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.71 0.291 . . . . 10.0 110.692 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.9 mt -101.59 133.49 46.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.164 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.94 115.41 28.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 10.0 111.391 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 69.9 t -99.36 112.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.86 121.44 43.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.925 0.393 . . . . 10.0 111.885 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.9 37.09 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.572 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -80.09 -5.34 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 10.0 110.898 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -95.9 -14.73 22.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.07 -6.71 32.6 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.475 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.9 p -80.97 135.73 35.91 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 117.475 0.638 . . . . 10.0 110.084 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.56 135.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.061 0.458 . . . . 10.0 110.472 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 53.1 t -115.54 127.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.089 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -91.32 104.3 16.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.42 116.17 27.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.979 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -101.22 100.22 10.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -137.02 170.28 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.792 -178.652 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 34' ' ' ILE . 24.5 mttp -99.77 160.85 13.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -63.52 -24.98 68.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -91.28 3.72 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.481 . . . . 10.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.47 HG21 HG13 ' B' ' 202' ' ' ILE . 20.5 m -93.51 117.99 67.45 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.943 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.06 140.86 80.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.125 2.55 . . . . 10.0 112.99 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -74.97 -5.3 43.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.663 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.95 96.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.487 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HB2' HD12 ' B' ' 202' ' ' ILE . 1.4 mtpp -67.34 -34.64 77.76 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.7 -43.82 97.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 73.2 mtm -69.53 -44.93 69.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.697 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 52.2 mtmt -66.32 -50.52 63.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 10.0 112.071 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.38 76.66 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.524 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 83.0 t80 -63.08 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.607 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.51 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 10.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 53.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.795 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' B' ' 200' ' ' ILE . 52.3 mtt180 -69.6 -34.11 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.532 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 11.5 mm100 -76.6 -33.5 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.039 0.447 . . . . 10.0 109.849 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.25 11.92 43.82 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.7 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.3 mt -114.62 162.27 16.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.952 0.406 . . . . 10.0 110.903 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -77.48 155.84 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.471 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.4 ttp -70.85 -9.98 58.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -89.73 -7.42 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.245 0.545 . . . . 10.0 110.042 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -100.43 -34.74 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.4 mt -99.85 129.17 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 59' ' ' ARG . 25.6 mmt180 -105.54 141.26 37.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.294 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -123.32 133.36 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.869 0.366 . . . . 10.0 111.004 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -130.02 141.6 50.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.783 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -139.13 130.38 26.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.465 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t0 68.28 10.34 7.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.48 -29.94 9.02 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.666 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -102.72 154.54 37.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.7 -0.294 . . . . 10.0 111.246 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.71 155.98 64.67 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.712 2.274 . . . . 10.0 112.143 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.8 mt -94.58 138.72 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.894 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -90.38 172.7 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.72 -8.27 59.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.711 0.291 . . . . 10.0 111.294 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.96 30.05 7.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.144 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -99.65 135.62 40.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 10.0 111.489 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.6 157.19 50.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.707 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.04 -28.44 87.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.426 2.084 . . . . 10.0 111.631 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.81 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.568 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -76.28 -47.27 24.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.134 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.4 mt -87.32 -2.73 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.512 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 77' ' ' GLU . 5.0 mm-40 53.28 63.21 2.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.87 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.9 mtp -82.2 153.05 26.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.268 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 64.9 mm-40 -107.5 166.93 10.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.651 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.09 140.24 56.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 70.95 16.38 6.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.581 . . . . 10.0 111.638 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.84 148.22 52.13 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.85 131.28 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 mt -104.42 138.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.273 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 132.05 39.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.894 0.378 . . . . 10.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 125.05 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.334 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -126.76 165.6 18.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.809 0.338 . . . . 10.0 110.643 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -110.55 138.3 47.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.269 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -66.78 146.26 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -67.35 142.2 56.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.347 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 -45.98 12.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.208 0.528 . . . . 10.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.809 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.409 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -117.17 123.81 47.61 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.392 0.615 . . . . 10.0 109.848 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.63 131.75 52.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 198' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.95 130.97 8.25 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.589 -1.005 . . . . 10.0 110.589 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 17.9 m -119.08 124.59 47.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.269 1.034 . . . . 10.0 110.375 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.412 HD11 ' HD2' ' A' ' 50' ' ' ARG . 19.9 mt -125.59 130.03 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.584 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.98 128.11 76.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.786 HD12 ' HB2' ' A' ' 42' ' ' LYS . 8.7 pt . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 40.6 m80 . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.837 0.351 . . . . 10.0 110.19 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 tt -108.84 128.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -99.28 105.68 17.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.111 0.482 . . . . 10.0 110.965 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 mt -95.1 155.91 16.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.981 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -118.53 120.88 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.943 0.402 . . . . 10.0 111.276 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 98.9 t -89.78 128.83 41.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.44 110.5 22.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.456 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.21 161.23 39.19 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.2 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -77.26 -3.49 40.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 10.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -108.26 8.42 27.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.61 0.92 83.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.905 -0.664 . . . . 10.0 113.316 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 p -73.25 156.49 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.057 0.428 . . . . 10.0 110.743 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.7 p -134.54 133.76 54.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.088 0.471 . . . . 10.0 110.089 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 47' ' ' TYR . 66.8 t -122.84 125.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -87.02 110.31 19.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.429 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.3 m-85 -98.47 104.97 17.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.124 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -89.62 99.56 12.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.173 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.64 165.11 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 10.0 109.929 -179.178 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 37.8 mttt -90.55 159.12 16.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -68.24 -20.98 64.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.571 0.224 . . . . 10.0 111.554 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 35' ' ' LYS . 31.6 p80 -94.22 -3.94 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 10.0 110.585 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 27.8 m -81.57 122.86 81.06 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.201 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 39.9 Cg_exo -58.0 137.9 83.23 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.676 2.251 . . . . 10.0 112.11 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.66 -5.22 36.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.923 0.392 . . . . 10.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -41.73 84.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.67 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.613 ' HB2' HD12 ' B' ' 202' ' ' ILE . 2.0 mtpp -67.96 -35.87 79.11 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.12 0.486 . . . . 10.0 109.814 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.06 -32.34 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.382 -0.827 . . . . 10.0 111.329 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.96 -1.21 57.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.753 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -118.87 -38.44 3.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.59 77.66 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.759 0.281 . . . . 10.0 111.759 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CE2' HG21 ' A' ' 30' ' ' VAL . 27.0 t80 -67.35 -37.51 83.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.6 80.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.256 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.04 -34.43 78.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.199 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 89.0 mtt180 -76.8 -34.65 57.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.283 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -77.7 -25.57 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.01 34.18 27.59 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.094 -0.803 . . . . 10.0 111.094 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -120.53 172.47 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 10.0 110.648 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -96.87 144.74 26.53 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.1 ttp -62.67 -26.59 68.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.984 0.421 . . . . 10.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -84.52 -7.29 59.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -86.36 -21.18 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.003 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 pt -123.62 175.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -136.09 138.56 42.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.264 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.44 127.99 54.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.95 137.86 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.948 0.404 . . . . 10.0 111.005 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.428 ' HB2' HD11 ' A' ' 67' ' ' ILE . 92.8 t80 -132.69 128.43 36.95 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 63.59 16.77 9.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.458 0.647 . . . . 10.0 109.962 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.05 70.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.483 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 86.5 mm-40 -106.99 138.73 19.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.579 0.189 . . . . 10.0 111.097 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 22.0 Cg_exo -65.36 131.72 29.12 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.577 2.185 . . . . 10.0 111.972 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 62' ' ' PHE . 28.9 mt -80.22 135.14 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.691 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -88.5 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.26 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.49 3.38 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.744 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.4 p -126.77 49.2 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.634 0.235 . . . . 10.0 111.634 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -139.26 149.34 44.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 10.0 111.727 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 39' ' ' PRO . 11.0 p -116.55 164.95 16.38 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.026 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.62 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.4 Cg_exo -60.34 -32.32 93.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.194 1.929 . . . . 10.0 111.452 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -37.34 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.543 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -63.7 -37.6 87.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.062 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -93.63 7.01 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.588 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 52.63 53.28 12.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.187 0.518 . . . . 10.0 110.916 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 76.7 mtp -88.45 145.54 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.378 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -106.59 175.74 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.605 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 145.61 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.693 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 66.35 26.68 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.323 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 134.46 34.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.28 141.48 28.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.228 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.9 mt -121.72 134.36 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -94.32 138.21 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.119 0.485 . . . . 10.0 111.984 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.68 117.26 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.596 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.51 164.25 13.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.953 0.406 . . . . 10.0 111.421 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -97.4 147.67 23.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.527 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -84.8 148.8 26.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -59.34 115.78 3.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -30.42 70.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.112 0.482 . . . . 10.0 111.068 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 111.634 -0.587 . . . . 10.0 111.634 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.42 122.97 42.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.697 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.91 126.11 43.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.85 131.48 8.27 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 37.9 m -119.36 124.62 47.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 118.132 0.966 . . . . 10.0 110.399 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.468 HD12 ' CE1' ' A' ' 32' ' ' PHE . 21.4 mt -127.11 131.09 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.052 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.4 128.74 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 42' ' ' LYS . 6.2 pt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.872 0.368 . . . . 10.0 110.919 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 m80 . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.552 0.215 . . . . 10.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.403 HG23 HG23 ' A' ' 34' ' ' ILE . 14.2 tt -126.52 135.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -100.53 113.76 26.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.85 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.5 mt -100.07 161.46 13.59 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.6 mttt -130.64 130.67 44.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.185 0.517 . . . . 10.0 111.336 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -87.76 134.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.917 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.71 96.49 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.89 0.376 . . . . 10.0 110.403 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.2 152.02 26.38 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.49 -9.21 58.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 10.0 111.214 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -98.94 -6.45 28.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.715 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.4 -0.99 60.15 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.11 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 p -67.19 136.27 54.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 10.0 110.719 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.35 118.68 58.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.212 0.529 . . . . 10.0 110.174 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 47' ' ' TYR . 62.0 t -119.32 124.28 72.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.732 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -91.27 124.05 35.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CG ' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.71 114.5 28.64 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.472 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -90.36 113.06 24.86 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.58 -1.267 . . . . 10.0 107.58 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.587 HD12 HD11 ' B' ' 202' ' ' ILE . 8.9 tt -139.52 153.6 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.03 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 46.7 mttp -81.19 156.66 25.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.964 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -100.01 8.16 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.552 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 53.0 m -90.48 126.64 55.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.548 0.213 . . . . 10.0 111.075 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.17 137.54 77.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.056 2.504 . . . . 10.0 112.668 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.73 -8.41 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.456 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -34.41 71.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -64.34 -38.44 91.03 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-O 121.187 0.518 . . . . 10.0 110.475 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' CG ' ' A' ' 32' ' ' PHE . 1.5 tt -65.14 -35.46 81.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.341 -0.845 . . . . 10.0 110.955 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.7 mtm -73.45 -26.55 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.048 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -90.62 -49.24 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.52 -54.66 16.78 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.269 0.84 . . . . 10.0 113.269 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CE2' HG21 ' A' ' 30' ' ' VAL . 11.1 t80 -70.73 -32.61 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.691 -0.404 . . . . 10.0 111.107 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.5 t -64.64 -41.17 96.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.044 0.45 . . . . 10.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.63 -37.65 87.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.145 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.31 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.3 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -81.67 -12.04 58.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.996 0.427 . . . . 10.0 110.338 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.75 44.64 61.95 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.936 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.1 mt -142.35 171.08 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.729 0.299 . . . . 10.0 110.697 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -89.06 142.75 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.9 ttp -63.7 -17.27 62.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.25 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -74.83 -15.31 60.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.997 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -87.34 -25.67 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.908 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.464 HG22 ' HG2' ' A' ' 88' ' ' GLN . 5.4 pt -104.16 163.47 3.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.113 0.482 . . . . 10.0 112.086 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -135.95 128.46 30.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.521 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.425 ' HB3' HD12 ' A' ' 67' ' ' ILE . 66.0 m-85 -102.44 139.18 38.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.84 0.352 . . . . 10.0 111.048 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -133.44 135.45 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.172 0.51 . . . . 10.0 111.097 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 78.9 t80 -136.96 128.36 28.31 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.12 26.46 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.879 0.847 . . . . 10.0 109.544 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.91 5.19 84.16 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.314 -0.857 . . . . 10.0 112.615 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -119.61 145.15 38.43 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.842 -0.211 . . . . 10.0 110.444 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.53 148.79 90.63 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.41 2.074 . . . . 10.0 111.577 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 60' ' ' PHE . 14.7 mt -97.38 144.38 10.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.561 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -92.82 -172.17 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -106.64 25.12 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.231 0.539 . . . . 10.0 110.136 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.92 24.02 1.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.245 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.36 146.61 31.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.754 0.311 . . . . 10.0 111.389 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p -123.17 160.55 49.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.772 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.61 -36.76 98.3 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.348 2.032 . . . . 10.0 111.864 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.787 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -60.84 -45.76 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.664 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -84.58 7.94 18.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 54.32 50.02 17.23 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.165 0.507 . . . . 10.0 111.0 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 74.3 mtp -83.96 142.47 30.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.985 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -108.26 176.38 5.15 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.3 t70 -69.24 143.83 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 26.6 mt-10 71.95 13.57 5.96 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.624 0.578 . . . . 10.0 112.058 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.14 106.75 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 10.0 110.004 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.96 134.62 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.483 -0.781 . . . . 10.0 111.732 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.6 mt -112.16 126.51 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.163 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.72 134.15 40.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.426 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -122.18 113.89 40.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.582 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.18 -177.88 3.38 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG2' HG22 ' A' ' 58' ' ' ILE . 48.4 mt-30 -127.91 159.77 33.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.769 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -69.19 143.0 54.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 10.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.75 30.84 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.285 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.253 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.14 122.99 43.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.158 -0.617 . . . . 10.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.44 41.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.64 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 198' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.35 130.06 7.6 Favored Glycine 0 N--CA 1.442 -0.967 0 C-N-CA 120.215 -0.993 . . . . 10.0 111.621 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 4.2 p -121.53 122.69 40.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 117.643 0.721 . . . . 10.0 109.491 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 25.1 mt -125.8 128.88 72.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.22 128.15 75.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.314 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.587 HD11 HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.441 -0.91 0 CA-C-O 121.643 0.735 . . . . 10.0 109.681 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 73.4 m80 . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.817 0.341 . . . . 10.0 110.134 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.4 tt -121.71 128.36 75.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.074 0.464 . . . . 10.0 109.867 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -91.78 118.47 30.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.051 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.1 mt -115.35 135.49 54.08 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 83' ' ' THR . 89.0 mttt -106.06 114.54 28.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.936 0.398 . . . . 10.0 111.226 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.495 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.1 t -82.14 132.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.843 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 161.89 16.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.46 143.22 10.24 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -64.56 -27.59 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 10.0 110.723 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.52 -17.79 40.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.136 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.24 0.17 44.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.242 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -66.48 129.86 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.277 0.538 . . . . 10.0 110.401 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.53 129.99 57.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 10.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 33.7 t -120.65 118.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.31 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -91.53 105.09 17.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.849 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' B' ' 200' ' ' ILE . 0.8 OUTLIER -90.65 118.83 30.4 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.639 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -108.63 100.3 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -131.83 161.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.81 -178.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 34' ' ' ILE . 40.2 mttt -77.39 151.9 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.17 -20.86 65.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -93.97 1.09 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 10.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.456 HG21 HG13 ' B' ' 202' ' ' ILE . 95.4 m -89.51 124.94 63.04 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.359 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.548 ' HA ' HG22 ' A' ' 72' ' ' THR . 48.5 Cg_exo -56.9 143.34 92.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.056 2.504 . . . . 10.0 113.001 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.83 -4.64 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.352 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -50.15 74.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.567 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -64.31 -29.6 70.67 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.714 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.8 -43.94 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 10.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.82 -38.51 79.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.433 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.54 -47.73 58.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.483 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.79 -48.23 75.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.636 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -65.29 -39.11 92.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.016 0.436 . . . . 10.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.1 t -64.34 -43.23 95.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.34 -27.3 67.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.722 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -67.95 -38.51 82.89 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.074 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.11 30.03 26.67 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.939 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -114.26 171.33 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.574 0.226 . . . . 10.0 110.758 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -86.07 143.31 28.14 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.5 ttp -64.13 -19.89 65.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 10.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -88.5 -4.29 58.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.043 0.449 . . . . 10.0 110.553 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -89.34 -22.71 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.948 0.404 . . . . 10.0 110.66 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.9 pt -123.17 165.64 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.361 . . . . 10.0 111.231 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.23 137.51 48.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -106.31 130.92 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.9 0.381 . . . . 10.0 110.773 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -124.76 142.29 51.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.784 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 44.6 t80 -141.21 128.16 20.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 61.85 28.97 17.76 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.499 0.666 . . . . 10.0 110.378 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.03 5.07 89.74 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.647 -0.706 . . . . 10.0 113.352 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.1 mm-40 -124.12 149.66 61.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.093 0.447 . . . . 10.0 110.96 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.0 Cg_exo -68.12 132.8 27.01 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.609 2.206 . . . . 10.0 111.744 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.401 HD11 ' HB2' ' A' ' 62' ' ' PHE . 14.0 mt -80.99 131.62 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.405 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 88.9 m-20 -79.96 169.18 18.24 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.83 25.43 4.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.919 0.39 . . . . 10.0 111.446 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.9 45.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.518 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 9.8 m-20 -130.07 156.71 44.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.178 0.513 . . . . 10.0 111.924 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 39' ' ' PRO . 33.5 p -126.18 162.74 44.24 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.312 -0.858 . . . . 10.0 108.792 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.0 Cg_exo -58.8 -32.16 96.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.15 1.9 . . . . 10.0 111.658 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.5 -30.73 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.066 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.436 ' HB3' ' H ' ' A' ' 72' ' ' THR . 58.1 tp60 -70.36 -38.53 74.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.326 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -94.32 7.44 45.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.605 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 52.59 50.99 16.99 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.203 0.525 . . . . 10.0 110.716 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.542 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.4 mtp -84.4 138.64 32.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.033 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -94.06 167.66 11.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.8 141.55 42.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.154 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 70.58 30.43 3.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.537 0.735 . . . . 10.0 112.499 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.78 178.4 8.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m -122.86 129.97 52.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.129 0.49 . . . . 10.0 112.318 -178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.2 mt -104.44 130.94 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.614 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.32 139.15 35.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.411 . . . . 10.0 111.88 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.8 t -129.39 124.17 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.104 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.39 164.18 20.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.72 -0.218 . . . . 10.0 110.59 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -90.82 149.02 22.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.91 0.386 . . . . 10.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -82.22 140.45 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.271 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.3 117.3 3.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.982 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.79 34.16 2.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.421 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 C-N-CA 120.962 -0.637 . . . . 10.0 111.798 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 120.753 0.311 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.42 128.22 54.41 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 120.969 0.414 . . . . 10.0 110.28 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.56 126.99 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.19 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 198' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.77 134.21 9.49 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.66 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.0 m -118.33 126.39 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.944 0.872 . . . . 10.0 110.489 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 18.4 mt -124.54 129.42 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.373 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.03 128.36 76.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.465 HD12 ' HD3' ' A' ' 42' ' ' LYS . 6.4 pt . . . . . 0 C--O 1.236 0.369 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.092 0.472 . . . . 10.0 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 34' ' ' ILE . 16.5 tt -111.5 139.2 36.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.501 -0.926 . . . . 10.0 108.501 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -100.6 103.84 15.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.922 0.392 . . . . 10.0 110.948 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.8 mt -100.58 154.84 18.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.419 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -112.46 126.3 55.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.964 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -108.32 114.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.95 137.83 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.76 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.92 163.6 12.95 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.854 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.27 -6.86 42.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.075 0.464 . . . . 10.0 111.404 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.62 -5.4 25.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.13 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.6 14.8 49.0 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.848 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 p -85.03 151.34 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -129.9 119.65 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.181 0.515 . . . . 10.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.97 122.12 67.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.525 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.45 118.0 24.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.403 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -100.43 111.52 23.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.501 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.74 101.45 13.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.7 HD12 HD11 ' B' ' 202' ' ' ILE . 3.3 tt -134.55 152.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.954 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -79.16 148.71 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 36' ' ' ARG . 39.9 mtp85 -68.2 -7.13 27.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -108.0 -1.38 20.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.953 0.406 . . . . 10.0 111.029 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -85.98 127.76 60.78 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.883 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.667 ' HA ' HG22 ' A' ' 72' ' ' THR . 51.1 Cg_exo -55.46 137.37 77.4 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.038 2.492 . . . . 10.0 112.669 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -72.27 -4.27 28.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.676 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -33.49 71.14 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.844 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.867 ' HB2' HD12 ' B' ' 202' ' ' ILE . 16.1 mtpp -73.35 -35.34 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 10.0 109.576 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.41 -20.62 65.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 40.9 mtm -97.86 12.53 33.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.848 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -135.3 -38.34 0.76 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.96 -50.23 71.36 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -68.81 -34.05 74.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 10.0 110.078 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.617 ' SG ' HD11 ' A' ' 58' ' ' ILE . 37.3 m -62.68 -43.88 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -61.16 -43.35 99.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -68.12 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.153 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -79.25 -26.53 42.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 10.0 110.271 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.93 25.8 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.629 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.06 154.17 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 10.0 110.605 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 t -85.61 150.76 24.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.761 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.7 ttp -62.57 -18.05 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 10.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 56' ' ' ARG . 7.2 tpt180 -76.65 -22.08 54.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -86.85 -33.77 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.617 HD11 ' SG ' ' A' ' 48' ' ' CYS . 8.9 pt -108.27 169.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.857 0.36 . . . . 10.0 111.49 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.0 142.73 49.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.412 ' HB3' HD12 ' A' ' 67' ' ' ILE . 88.7 m-85 -112.94 135.32 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -136.11 145.78 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.23 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -141.19 127.03 19.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.599 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 61.26 23.11 13.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.239 0.542 . . . . 10.0 111.058 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.11 -2.74 81.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.86 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 41.4 mm-40 -110.17 139.89 21.86 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.774 -0.251 . . . . 10.0 110.768 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 11.7 Cg_exo -69.4 127.82 15.45 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.347 2.031 . . . . 10.0 110.903 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 60' ' ' PHE . 24.9 mt -73.04 133.63 31.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.111 0.481 . . . . 10.0 111.671 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.409 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 37.0 m-80 -90.98 167.13 12.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.877 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -84.65 -1.92 56.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.95 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -117.62 34.94 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.71 0.29 . . . . 10.0 111.779 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 12.1 m-20 -121.68 152.64 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.094 0.473 . . . . 10.0 111.943 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.667 HG22 ' HA ' ' A' ' 39' ' ' PRO . 28.9 p -126.54 164.42 34.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 42.8 Cg_exo -57.57 -36.55 98.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.979 1.786 . . . . 10.0 111.502 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.42 62.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.247 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.9 tp60 -63.0 -35.21 79.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 10.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.2 mt -96.23 6.12 49.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.351 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 54.2 44.48 29.06 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.308 0.575 . . . . 10.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.5 mtp -80.99 161.92 24.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.787 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.52 ' C ' HD11 ' A' ' 18' ' ' ILE . 51.5 mm-40 -133.52 -177.9 4.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.398 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.31 153.12 42.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.808 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 70.72 11.67 7.21 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.468 0.707 . . . . 10.0 112.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.98 146.4 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 131.99 54.78 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.6 0.593 . . . . 10.0 112.6 -178.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.2 mp -102.72 130.54 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.219 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.97 125.63 35.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.286 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.6 t -108.85 114.49 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.61 176.19 5.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.982 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -119.4 146.9 44.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.687 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -81.32 143.5 32.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.84 0.352 . . . . 10.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -63.98 138.56 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.76 -30.29 51.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.133 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.764 -0.731 . . . . 10.0 112.166 -179.805 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.91 121.66 39.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.027 -0.669 . . . . 10.0 111.411 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.33 124.55 38.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.722 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.43 130.75 7.62 Favored Glycine 0 C--O 1.22 -0.781 0 C-N-CA 120.667 -0.777 . . . . 10.0 112.478 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 73.8 m -121.14 123.44 42.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.131 0.965 . . . . 10.0 110.711 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 27.4 mt -126.53 129.15 71.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.721 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.31 127.26 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 122.228 -0.295 . . . . 10.0 110.257 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.867 HD12 ' HB2' ' A' ' 42' ' ' LYS . 3.2 pt . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 120.884 0.373 . . . . 10.0 110.755 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 m80 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.42 HD11 ' C ' ' A' ' 79' ' ' GLU . 20.6 tt -101.0 143.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 21.0 m-80 -115.42 123.25 48.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.186 0.517 . . . . 10.0 111.253 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.2 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.413 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 83' ' ' THR . 96.8 mttt -125.49 122.7 37.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.095 0.474 . . . . 10.0 111.363 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 71.4 t -86.81 127.1 40.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.886 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.93 105.35 17.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.942 0.401 . . . . 10.0 111.149 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.89 143.68 25.62 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -65.35 -17.48 64.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.87 0.367 . . . . 10.0 111.664 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.2 -23.78 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.298 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.58 -24.32 5.84 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.419 -0.896 . . . . 10.0 112.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 p -60.15 152.09 25.31 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.739 0.304 . . . . 10.0 110.416 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.32 142.7 37.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 10.0 110.968 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 5.7 t -122.87 118.98 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.402 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.98 113.31 24.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.969 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 19' ' ' ASN . 1.2 m-85 -95.76 112.73 24.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.265 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -97.79 102.35 14.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -136.77 161.53 36.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.362 -178.814 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' ILE . 50.4 mttp -79.69 153.09 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.02 -14.19 59.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -104.89 10.54 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.892 0.377 . . . . 10.0 111.374 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.426 HG21 HG13 ' B' ' 202' ' ' ILE . 2.9 m -83.38 126.01 72.72 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.162 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.83 136.07 58.71 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.057 2.505 . . . . 10.0 112.381 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.85 -20.06 65.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.582 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -23.89 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.029 0.443 . . . . 10.0 110.714 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.634 ' HB3' HD12 ' B' ' 202' ' ' ILE . 9.7 mtpp -65.99 -44.09 85.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.588 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.547 ' H ' HD12 ' A' ' 43' ' ' LEU . 5.5 mp -64.42 -36.72 85.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 10.0 110.313 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 29.8 ttm -62.45 -30.7 71.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -96.54 -36.41 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.984 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.48 -56.67 18.27 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CE2' HG21 ' A' ' 30' ' ' VAL . 31.0 t80 -68.82 -28.86 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 10.0 110.516 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.466 ' SG ' HD12 ' A' ' 53' ' ' LEU . 50.0 t -65.12 -49.48 69.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.98 -30.41 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -68.57 -38.76 80.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.756 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -75.81 -29.8 58.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 10.0 110.205 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.31 37.81 6.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.067 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.466 HD12 ' SG ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.3 -175.92 3.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 10.0 110.736 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.5 t -85.39 139.83 31.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.577 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.3 ttp -67.58 -23.73 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.313 0.578 . . . . 10.0 110.823 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -86.53 -10.27 54.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.971 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -88.52 -2.44 58.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 10.0 110.608 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 pt -129.42 170.1 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.524 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -140.33 142.01 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.271 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 44' ' ' MET . 27.6 m-85 -112.15 134.7 53.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.884 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -128.71 144.61 51.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.128 0.49 . . . . 10.0 111.406 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -141.19 121.15 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.984 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.07 32.74 17.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.675 0.75 . . . . 10.0 109.798 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.97 63.07 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.885 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 57.4 mm-40 -107.39 135.72 19.65 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.702 -0.293 . . . . 10.0 110.384 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 26.1 Cg_exo -62.62 142.74 90.86 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.484 2.123 . . . . 10.0 111.768 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 60' ' ' PHE . 34.0 mt -89.95 131.68 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.77 0.319 . . . . 10.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -96.3 163.2 13.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.23 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.63 11.57 14.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.865 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 32.19 5.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.971 0.415 . . . . 10.0 111.403 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -125.46 166.07 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 10.0 111.285 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.78 161.64 62.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.241 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.16 -53.26 7.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.107 2.538 . . . . 10.0 112.752 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.94 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.587 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -78.55 -35.7 45.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.984 0.421 . . . . 10.0 110.248 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 mt -94.4 4.31 54.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.15 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 60.9 38.39 17.74 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.32 161.79 28.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' HD11 ' A' ' 18' ' ' ILE . 1.6 mm-40 -125.71 179.82 4.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.576 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.04 144.55 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.295 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 67.34 24.39 8.98 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.333 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 137.23 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 m -91.08 142.26 27.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.992 0.425 . . . . 10.0 111.784 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.6 mt -121.15 132.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.028 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.424 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 2.1 m-20 -90.02 132.92 35.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.1 t -123.35 122.74 65.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.2 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 85' ' ' ASP . 66.7 m-85 -126.44 167.35 15.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.021 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -104.07 149.03 25.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -74.08 146.73 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -69.66 154.19 42.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.756 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -99.15 -43.44 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.148 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 121.77 40.52 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.121 -0.631 . . . . 10.0 111.062 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.86 126.84 43.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.461 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.66 129.02 7.52 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.323 -0.942 . . . . 10.0 111.61 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 23.6 m -121.48 125.27 46.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.546 0.673 . . . . 10.0 110.525 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 8.8 mt -126.99 129.14 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.823 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -121.49 125.92 74.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.092 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 42' ' ' LYS . 4.3 pt . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 10.0 111.062 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.8 m80 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.77 0.319 . . . . 10.0 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 34' ' ' ILE . 18.9 tt -100.93 141.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.786 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -99.12 105.45 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.007 0.432 . . . . 10.0 111.316 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.23 128.52 54.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.807 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -100.2 117.09 33.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.459 . . . . 10.0 111.174 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.17 136.14 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.87 121.88 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.801 0.334 . . . . 10.0 111.16 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.95 -139.21 5.12 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.888 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -112.5 9.45 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.845 0.355 . . . . 10.0 110.954 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.35 -63.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.128 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.07 -7.98 0.49 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.02 98.63 2.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.76 0.314 . . . . 10.0 110.327 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.9 132.13 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.268 0.556 . . . . 10.0 111.195 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.414 HG21 ' CE2' ' A' ' 47' ' ' TYR . 86.5 t -120.34 122.31 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.288 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -92.3 116.06 28.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.7 m-85 -95.62 123.14 39.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.767 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -102.88 98.94 8.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.11 157.52 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.72 -178.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 34' ' ' ILE . 30.6 mttt -79.49 161.82 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -70.96 -15.21 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.791 0.293 . . . . 10.0 111.791 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -98.15 -4.68 35.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.042 0.448 . . . . 10.0 110.309 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.441 HG21 HG13 ' B' ' 202' ' ' ILE . 35.7 m -80.88 122.98 82.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.234 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.9 138.53 82.25 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.123 2.549 . . . . 10.0 112.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.97 -7.84 54.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.95 83.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.784 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -68.08 -28.94 67.79 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.315 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -64.63 -41.14 96.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.041 0.448 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 78.6 mtm -72.82 -38.25 67.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.657 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' SD ' ' A' ' 55' ' ' MET . 10.7 mtmt -72.07 -45.63 59.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.901 -0.59 . . . . 10.0 112.092 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.0 -54.73 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.141 0.423 . . . . 10.0 112.141 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 11.1 t80 -63.31 -40.16 96.58 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.678 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.0 t -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -36.6 84.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.024 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD2' HD11 ' B' ' 200' ' ' ILE . 6.0 ttt-85 -66.72 -30.73 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.638 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.0 mm100 -83.74 -19.8 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.339 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.19 42.82 18.15 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.3 mt -132.42 177.39 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -95.51 140.56 30.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.452 ' SD ' ' HG3' ' A' ' 45' ' ' LYS . 31.9 ttp -66.81 -14.44 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 10.0 110.473 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -85.51 -17.32 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.878 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -83.83 -24.16 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.9 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 pt -113.96 174.07 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.944 0.402 . . . . 10.0 111.546 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -138.9 149.76 45.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.834 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.457 ' HB3' HD12 ' A' ' 67' ' ' ILE . 87.4 m-85 -125.43 139.15 53.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -134.75 150.53 50.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 10.0 111.958 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.2 t80 -140.83 125.99 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.161 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 62.22 21.17 12.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.48 0.657 . . . . 10.0 110.563 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.01 0.03 81.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -112.72 145.49 33.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.687 0.244 . . . . 10.0 110.605 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.14 136.24 43.47 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.432 2.088 . . . . 10.0 111.657 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 60' ' ' PHE . 65.0 mt -82.04 137.84 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.227 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -90.08 159.38 16.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.517 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.18 3.26 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.633 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.45 29.32 5.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.206 0.527 . . . . 10.0 110.478 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.0 159.32 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.396 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.7 OUTLIER -134.18 160.28 69.11 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.624 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.08 -40.73 81.39 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.246 1.964 . . . . 10.0 112.153 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.24 -3.55 43.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.469 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.403 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 37.9 tp60 -99.8 -28.21 13.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 10.0 110.333 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt -101.29 11.68 38.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 55.33 46.98 22.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.216 0.531 . . . . 10.0 110.77 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 80.9 mtp -90.41 141.91 28.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.264 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -120.1 -179.4 3.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.78 154.95 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 62.78 30.11 16.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.664 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 172.79 12.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.381 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 m -133.4 132.69 41.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.177 0.513 . . . . 10.0 111.604 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.1 mt -109.86 130.16 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.755 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.89 144.14 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.601 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.2 t -127.32 128.11 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.307 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -124.39 170.0 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.576 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -113.74 142.39 46.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.212 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -76.21 140.51 41.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.482 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -57.93 147.1 29.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.403 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.25 -30.3 21.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.325 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.213 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.897 -0.408 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.2 p -119.32 123.03 43.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.995 -0.682 . . . . 10.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.7 129.0 48.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.301 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.47 127.92 7.11 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 110.778 -0.929 . . . . 10.0 110.778 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 14.2 m -121.1 123.82 43.26 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.29 -0.564 . . . . 10.0 110.52 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.467 HD11 ' HD2' ' A' ' 50' ' ' ARG . 19.1 mt -126.07 131.19 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.686 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.02 127.93 75.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.478 HD12 ' HD3' ' A' ' 42' ' ' LYS . 7.9 pt . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.885 0.374 . . . . 10.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 tt -109.55 142.32 22.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -107.89 137.8 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 10.0 111.394 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 mt -121.82 164.87 16.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.955 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' THR . 82.6 mttt -122.61 136.56 54.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.047 0.451 . . . . 10.0 111.129 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.2 t -100.81 123.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.832 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 83' ' ' THR . . . -93.23 104.97 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.021 0.438 . . . . 10.0 111.614 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.89 157.79 27.63 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.449 -1.06 . . . . 10.0 110.449 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -87.76 -6.1 58.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.128 0.464 . . . . 10.0 110.849 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -99.74 -8.41 24.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.86 -10.12 40.71 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.149 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -77.49 136.08 38.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.197 0.498 . . . . 10.0 110.203 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.33 131.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.348 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.0 t -115.62 125.4 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.1 0.476 . . . . 10.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -80.96 113.65 19.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.431 -0.951 . . . . 10.0 108.431 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.03 106.98 19.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.653 -178.518 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -93.16 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.47 166.34 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.611 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' HG13 ' A' ' 34' ' ' ILE . 17.3 mttt -92.39 156.31 17.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -64.7 -23.92 67.41 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -90.86 -8.54 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 10.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.582 HG21 HG13 ' B' ' 202' ' ' ILE . 47.7 m -76.52 119.6 78.05 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.165 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.593 ' HA ' HG22 ' A' ' 72' ' ' THR . 37.2 Cg_exo -56.59 145.28 81.83 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.833 2.355 . . . . 10.0 113.02 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.5 -7.35 49.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -31.34 70.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.383 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.651 ' HB2' HD12 ' B' ' 202' ' ' ILE . 24.2 mtpt -70.46 -30.82 67.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.351 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.8 tt -65.55 -38.43 89.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.285 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -83.21 3.35 31.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.32 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -116.56 -53.57 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.36 -47.02 82.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.918 0.39 . . . . 10.0 111.428 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -71.92 -28.55 63.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.966 0.412 . . . . 10.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 58' ' ' ILE . 5.3 t -69.42 -43.87 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.334 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.77 -36.46 83.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.524 ' HD2' HD11 ' B' ' 200' ' ' ILE . 31.7 mtt180 -62.97 -40.5 97.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.12 -14.78 58.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.948 0.404 . . . . 10.0 110.696 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.74 62.53 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.011 -0.614 . . . . 10.0 111.945 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.41 167.51 12.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.573 0.225 . . . . 10.0 110.415 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 t -91.48 140.88 29.33 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.2 ttp -61.86 -22.61 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.162 0.506 . . . . 10.0 110.625 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.4 ttt85 -78.84 -11.38 59.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.963 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -94.25 -36.86 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.934 0.397 . . . . 10.0 111.044 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.429 HD11 ' SG ' ' A' ' 48' ' ' CYS . 11.3 pt -97.32 166.85 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.467 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -136.09 142.9 44.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.845 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -117.46 135.51 53.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 10.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -127.17 143.94 51.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.442 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 92.1 t80 -145.97 130.36 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.719 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.24 26.0 15.57 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.425 0.631 . . . . 10.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.91 73.95 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.962 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -111.38 153.47 44.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.822 0.311 . . . . 10.0 110.337 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.13 143.83 32.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.744 2.296 . . . . 10.0 111.669 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.0 mt -88.44 130.89 37.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.765 0.317 . . . . 10.0 110.993 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -94.27 171.9 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.2 11.08 12.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.054 0.455 . . . . 10.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -125.55 28.04 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.237 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -118.79 146.34 44.89 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.42 0.629 . . . . 10.0 112.333 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 39' ' ' PRO . 10.4 p -122.47 161.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.867 -1.06 . . . . 10.0 109.088 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.518 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 40.2 Cg_exo -57.66 -38.9 91.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.419 2.079 . . . . 10.0 111.71 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.68 84.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -62.32 -39.02 91.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.489 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.41 8.84 43.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.804 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 49.25 51.54 16.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.764 0.665 . . . . 10.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 85.0 mtp -76.56 146.22 38.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.216 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 10.6 mm-40 -121.54 176.49 5.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.268 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 3.8 t70 -72.17 158.5 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.898 -0.779 . . . . 10.0 108.898 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.2 mm-40 70.49 5.38 5.35 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.338 0.399 . . . . 10.0 111.54 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.3 t0 -77.44 145.11 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 4.3 m -120.21 135.31 55.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.2 mt -107.3 133.33 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.294 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -88.22 135.89 33.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.258 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.86 121.95 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.808 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.3 179.29 4.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.219 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.426 ' HG2' HG22 ' A' ' 58' ' ' ILE . 34.8 mt-30 -129.42 143.23 50.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -68.92 141.96 54.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.364 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -57.39 142.93 42.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.707 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -47.25 77.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.998 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--O 1.236 0.367 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.04 116.75 27.51 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.385 -0.926 . . . . 10.0 110.532 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.1 128.59 40.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.778 -1.101 . . . . 10.0 109.143 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.53 129.76 7.85 Favored Glycine 0 N--CA 1.436 -1.303 0 C-N-CA 119.706 -1.235 . . . . 10.0 110.829 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 74.1 m -122.69 122.89 39.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.869 0.834 . . . . 10.0 110.631 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.524 HD11 ' HD2' ' A' ' 50' ' ' ARG . 43.6 mt -127.34 128.81 70.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.989 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.2 p -122.67 128.27 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 42' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.318 -0.789 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.409 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 15.5 m-70 . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 120.705 0.288 . . . . 10.0 110.4 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.7 tt -103.51 130.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.21 113.89 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.046 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.02 145.87 27.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.053 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -105.9 117.25 33.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.729 0.299 . . . . 10.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 42.1 t -95.0 122.98 46.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.732 -0.84 . . . . 10.0 108.732 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.1 115.3 29.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 10.0 112.068 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.92 165.97 33.56 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.793 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -79.11 -9.82 59.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.071 0.462 . . . . 10.0 110.806 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -91.84 -7.87 48.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.78 4.65 56.86 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.83 -0.7 . . . . 10.0 113.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 p -73.86 145.37 44.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.746 0.308 . . . . 10.0 110.645 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.93 112.8 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.305 0.574 . . . . 10.0 109.759 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 40.7 t -111.69 124.83 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.7 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -95.47 112.44 24.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.788 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' B' ' 200' ' ' ILE . 2.8 m-85 -97.28 109.22 22.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.948 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -93.38 102.12 14.36 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.51 168.8 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.102 -178.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 34' ' ' ILE . 26.9 mttt -93.03 154.58 18.04 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -63.41 -24.99 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.631 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -93.66 -2.49 53.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.044 0.45 . . . . 10.0 110.861 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 92.4 m -83.19 119.92 74.95 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.129 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.579 ' HA ' HG22 ' A' ' 72' ' ' THR . 53.0 Cg_exo -55.3 139.93 81.51 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.911 2.407 . . . . 10.0 112.366 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.5 -0.09 14.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.437 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -39.03 93.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.422 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.746 ' HB2' HD12 ' B' ' 202' ' ' ILE . 0.1 OUTLIER -70.85 -30.56 67.0 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.346 179.639 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 32' ' ' PHE . 3.4 tt -60.41 -45.74 92.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.829 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.5 mtm -68.75 -44.92 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.738 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.354 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.49 81.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 10.0 111.577 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -70.84 -38.23 73.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.062 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 p -67.05 -35.05 79.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.788 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -69.49 -38.73 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.709 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -67.6 -34.9 77.93 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.808 0.337 . . . . 10.0 110.614 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.7 -30.63 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.191 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.04 33.45 10.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -127.57 153.79 45.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.58 0.228 . . . . 10.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.2 t -68.56 147.41 52.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.245 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.4 ttp -65.5 -18.78 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.112 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -81.79 -16.35 51.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 10.0 110.766 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.14 -30.14 26.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 10.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 pt -93.02 153.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.09 113.22 15.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.052 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 67' ' ' ILE . 6.8 m-85 -94.8 133.19 38.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.928 0.394 . . . . 10.0 111.214 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.04 148.63 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 23.1 t80 -144.37 125.56 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.115 178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 62.0 29.96 17.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.496 0.665 . . . . 10.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.45 -13.62 45.42 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.507 -0.769 . . . . 10.0 113.004 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.9 mm-40 -101.92 138.53 19.82 Favored Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 122.749 -0.265 . . . . 10.0 110.74 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 37.7 Cg_exo -61.32 144.32 98.47 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.553 2.169 . . . . 10.0 111.464 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 60' ' ' PHE . 23.4 mt -84.64 139.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.06 0.457 . . . . 10.0 110.853 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.74 176.93 8.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.211 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -99.85 0.83 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.407 . . . . 10.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.66 50.14 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.678 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.54 150.93 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 10.0 111.488 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 39' ' ' PRO . 14.6 p -122.87 160.5 48.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.619 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.88 -31.04 93.23 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.221 1.947 . . . . 10.0 111.44 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.85 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.082 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -75.23 -29.18 60.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 10.0 111.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.01 -1.93 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.743 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 57.66 51.95 8.85 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.779 0.674 . . . . 10.0 110.996 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.8 mtp -94.01 152.53 18.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -119.47 176.06 5.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.52 153.57 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.484 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 66.72 30.95 7.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.037 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -85.84 156.23 20.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.0 m -113.85 124.17 51.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.398 0.618 . . . . 10.0 112.117 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -105.3 132.58 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.558 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.96 137.38 35.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.806 0.336 . . . . 10.0 111.347 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -124.44 113.78 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.619 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -113.22 -172.79 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -129.92 145.51 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 10.0 110.712 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -68.22 136.36 53.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.68 133.9 55.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.104 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -21.53 43.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.646 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.261 -179.877 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.31 124.21 47.25 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.477 0.656 . . . . 10.0 111.594 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.05 128.11 48.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.192 -0.913 . . . . 10.0 109.766 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.75 131.59 8.58 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 2.7 m -119.34 124.43 46.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.91 0.855 . . . . 10.0 109.619 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.547 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 3.3 mt -125.07 130.72 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.8 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.97 127.7 75.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 176.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 42' ' ' LYS . 8.7 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 10.0 110.956 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 m80 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.664 0.269 . . . . 10.0 110.277 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 tt -102.12 131.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.32 117.69 34.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.853 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.73 155.42 24.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.265 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -110.16 154.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.891 0.377 . . . . 10.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -113.46 115.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.701 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 85' ' ' ASP . . . -84.68 99.25 10.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.951 0.405 . . . . 10.0 110.729 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.4 166.17 39.78 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.62 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -94.63 -5.22 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.078 0.466 . . . . 10.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.73 -35.27 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.47 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.49 -28.13 2.79 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.457 -0.877 . . . . 10.0 112.724 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.6 p -62.43 145.05 55.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.091 0.472 . . . . 10.0 110.795 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.1 p -131.25 136.17 58.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.78 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 16.1 t -116.85 118.16 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.189 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -73.8 112.61 10.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -88.56 102.49 14.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.62 -178.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -92.1 100.16 12.84 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -133.8 167.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.804 -179.151 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -93.41 153.62 18.4 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.143 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 10.7 ttt85 -63.92 -17.83 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.861 0.362 . . . . 10.0 111.261 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -103.57 10.53 36.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 10.0 111.079 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 88.7 m -95.0 128.39 39.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.165 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.25 139.72 72.58 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.987 2.458 . . . . 10.0 112.834 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD11 ' SD ' ' A' ' 78' ' ' MET . 31.5 mt -76.05 -10.79 59.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.992 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 p -60.29 -33.89 72.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.042 0.448 . . . . 10.0 110.083 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.864 ' HB2' HD12 ' B' ' 202' ' ' ILE . 21.3 mtpp -64.39 -34.8 79.02 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.158 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -56.72 -44.58 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.028 -179.144 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 72.2 mtm -71.87 -49.53 37.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.103 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -63.48 -52.85 59.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.91 90.8 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -72.67 -37.95 67.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.254 -0.179 . . . . 10.0 111.044 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.8 t -62.69 -34.28 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 10.0 110.525 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -65.21 -33.77 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.791 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -71.04 -33.41 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 10.0 109.965 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -78.8 -28.82 44.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.439 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.71 36.99 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -121.18 169.68 10.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.676 0.274 . . . . 10.0 110.278 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.9 t -82.56 144.28 30.47 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.98 -20.12 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 10.0 110.602 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -87.56 -7.99 56.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -86.01 -24.31 26.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.364 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 pt -119.45 172.2 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 10.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -138.97 145.97 40.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -113.67 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -126.92 142.85 51.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.71 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.487 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 40.5 t80 -133.76 118.85 18.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.19 13.41 8.72 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.612 0.72 . . . . 10.0 110.453 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.84 -10.89 60.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.812 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 37.9 mm-40 -96.71 138.67 21.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 13.0 Cg_exo -69.75 131.69 21.78 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.276 1.984 . . . . 10.0 111.62 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 62' ' ' PHE . 12.2 mt -84.97 140.18 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.347 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -103.79 167.7 9.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.783 0.325 . . . . 10.0 110.227 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -74.36 -5.31 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.882 0.372 . . . . 10.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.83 22.23 16.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.584 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.27 151.34 23.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 111.29 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.446 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -137.69 162.8 52.55 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.687 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 54.2 Cg_exo -53.31 -46.03 36.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.682 2.255 . . . . 10.0 112.662 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -20.94 58.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 10.0 111.214 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.446 ' HB3' ' H ' ' A' ' 72' ' ' THR . 40.2 tp60 -71.71 -33.1 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.238 0.542 . . . . 10.0 110.221 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.6 mt -102.96 4.01 36.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.661 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 56.07 41.31 29.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.8 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.523 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 55.5 mtp -75.54 145.27 41.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.76 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -120.76 -177.05 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.577 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 5.2 t70 -75.62 159.64 30.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.7 mm-40 73.09 3.15 4.59 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.458 0.474 . . . . 10.0 111.243 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.47 151.48 34.65 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -126.43 136.45 52.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.41 . . . . 10.0 111.874 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.85 134.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 8.1 m-20 -91.01 137.52 32.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 10.0 111.268 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.03 125.74 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -126.43 160.48 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.857 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.41 149.47 23.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -84.66 133.15 34.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.9 0.381 . . . . 10.0 110.109 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -61.68 143.05 56.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.554 -0.748 . . . . 10.0 111.546 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.57 -19.07 20.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.034 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.371 -179.72 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -118.88 126.14 51.12 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.402 -0.519 . . . . 10.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.84 129.67 52.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 198' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.63 133.47 9.48 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.26 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.6 m -117.24 124.04 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.535 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 7.4 tt -126.11 129.65 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.949 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.3 p -123.05 128.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 121.727 -0.608 . . . . 10.0 111.399 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.864 HD12 ' HB2' ' A' ' 42' ' ' LYS . 4.0 pt . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 3.7 m80 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.741 0.305 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.2 tt -98.02 127.29 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.864 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -90.28 104.28 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.106 0.479 . . . . 10.0 111.133 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.07 156.07 17.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.637 -0.711 . . . . 10.0 109.364 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -122.59 138.7 54.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 10.0 112.029 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.31 118.59 57.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.471 -0.786 . . . . 10.0 108.938 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.67 113.75 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.94 0.4 . . . . 10.0 111.062 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.57 168.89 30.99 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.867 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -70.49 -19.38 62.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.108 0.48 . . . . 10.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.59 -28.33 56.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.239 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.69 -13.46 32.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.647 -0.787 . . . . 10.0 111.519 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.57 121.46 16.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.72 134.26 38.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 10.0 110.838 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.44 124.48 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.99 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -87.5 115.82 25.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CZ ' HD13 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -93.28 111.02 22.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.945 -179.026 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 34.2 tttt -97.15 102.96 14.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -135.86 164.39 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.336 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 34' ' ' ILE . 12.0 mttp -86.5 153.52 21.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -69.46 -5.45 23.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.511 0.559 . . . . 10.0 112.511 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -118.42 14.01 13.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.439 0.637 . . . . 10.0 110.119 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.5 m -95.66 125.04 50.78 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 144.63 56.18 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.898 2.398 . . . . 10.0 112.767 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.05 -1.6 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.74 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -39.45 91.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 10.0 110.333 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.824 ' HB2' HD12 ' B' ' 202' ' ' ILE . 0.3 OUTLIER -69.3 -32.69 71.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.215 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 1.5 tt -62.84 -35.81 81.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.996 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 69.2 mtm -81.51 -30.0 33.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.796 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -90.04 -40.56 12.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' B' ' 200' ' ' ILE . . . -57.16 -50.39 72.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.19 -32.11 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 10.0 110.368 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 44' ' ' MET . 19.4 t -64.73 -44.39 90.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.33 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -65.34 -35.96 82.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.974 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -61.55 -37.83 85.23 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.12 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -79.75 -20.33 46.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.56 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.48 33.16 35.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.217 -0.516 . . . . 10.0 112.647 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.9 mt -122.51 173.9 7.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.688 0.28 . . . . 10.0 110.568 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -89.95 143.02 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.191 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.9 ttp -65.98 -19.62 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.926 0.393 . . . . 10.0 110.44 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -82.84 -10.83 58.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -89.59 -27.1 20.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 10.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.0 pt -112.17 169.09 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.13 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -140.33 143.06 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.877 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -117.6 133.72 55.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -129.6 138.61 51.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.985 0.421 . . . . 10.0 111.522 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 80.1 t80 -131.04 129.15 41.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.839 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.2 23.03 13.57 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.54 0.686 . . . . 10.0 109.963 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.38 1.86 90.27 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.388 -0.823 . . . . 10.0 112.832 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -108.76 141.05 22.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.65 0.225 . . . . 10.0 110.753 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.59 131.14 23.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.702 2.268 . . . . 10.0 111.859 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -84.49 140.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -102.97 -177.88 3.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.439 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.18 12.56 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.83 0.348 . . . . 10.0 111.324 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 p -131.7 37.16 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.992 0.425 . . . . 10.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.07 153.06 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.14 0.495 . . . . 10.0 111.445 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.507 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -128.2 163.0 46.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.54 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 53.1 Cg_exo -55.48 -46.52 31.67 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.519 2.146 . . . . 10.0 112.076 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.79 75.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.755 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.507 ' HB3' ' H ' ' A' ' 72' ' ' THR . 43.0 tp60 -64.2 -38.43 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.22 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.1 mt -93.97 6.4 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 58.22 43.22 20.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.062 0.458 . . . . 10.0 110.592 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 74.3 mtp -85.62 142.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.788 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -121.73 177.79 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.168 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 10.5 t70 -68.06 146.81 53.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.254 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.5 mm-40 78.26 3.07 2.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.534 0.734 . . . . 10.0 112.2 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.35 142.75 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.313 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -113.53 142.96 45.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.034 0.445 . . . . 10.0 111.703 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.4 mt -115.51 133.98 60.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.754 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -86.79 142.49 28.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 10.0 111.109 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.6 t -112.8 120.7 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.386 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -119.18 169.55 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.372 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -120.2 159.74 24.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.016 -0.365 . . . . 10.0 110.016 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -85.26 145.16 27.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.758 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -67.58 141.37 56.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.849 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -44.24 46.19 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 10.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.424 179.642 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 p -117.58 122.72 44.4 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.909 0.862 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.85 127.87 46.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.692 -1.14 . . . . 10.0 109.093 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.03 130.39 8.21 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 111.044 -0.823 . . . . 10.0 111.044 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.0 m -118.18 122.78 43.89 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.479 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 13.4 tt -125.6 128.72 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.818 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.4 128.34 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 121.79 -0.569 . . . . 10.0 111.868 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.824 HD12 ' HB2' ' A' ' 42' ' ' LYS . 12.9 pt . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m80 . . . . . 0 C--O 1.236 0.391 0 CA-C-O 121.053 0.454 . . . . 10.0 110.151 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.1 tt -108.48 128.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.18 101.99 14.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.977 0.417 . . . . 10.0 110.711 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.1 mt -94.6 155.54 16.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.46 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -118.05 126.66 52.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.125 0.488 . . . . 10.0 111.692 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 93.7 t -91.63 131.56 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.706 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.24 103.31 12.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 143.72 20.23 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.438 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.58 -17.18 62.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 10.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.89 -0.14 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.758 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.47 35.27 7.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.845 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -107.21 139.99 40.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.37 125.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.204 0.526 . . . . 10.0 110.308 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 38.6 t -122.05 124.35 71.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -87.15 110.44 20.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.221 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.6 113.01 24.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.034 0.445 . . . . 10.0 110.675 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' O ' HG23 ' B' ' 201' ' ' VAL . 71.1 tttt -101.94 101.6 12.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.414 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.39 167.69 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 34' ' ' ILE . 37.5 mttt -88.94 158.31 18.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.861 0.363 . . . . 10.0 110.393 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -69.12 -21.89 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.527 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -90.27 -8.44 50.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.258 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.433 HG21 HG13 ' B' ' 202' ' ' ILE . 91.4 m -79.43 124.15 84.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.405 -0.816 . . . . 10.0 111.779 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.09 143.24 99.87 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.847 2.365 . . . . 10.0 112.228 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.7 mt -76.58 -6.72 53.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.71 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -61.05 -46.35 91.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -28.94 69.15 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 10.0 tt -68.11 -52.22 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.04 -43.42 86.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.179 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -73.76 -38.89 64.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.002 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.91 71.37 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.871 0.367 . . . . 10.0 111.646 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -63.8 -37.44 87.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.0 t -67.93 -42.34 81.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.62 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.68 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.466 . . . . 10.0 109.94 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -70.02 -33.17 71.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.481 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.96 -30.96 50.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.322 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.42 44.7 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.076 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -143.52 -173.16 3.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.9 t -100.7 144.11 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.303 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 ttp -65.78 -21.2 66.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.101 0.477 . . . . 10.0 110.717 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 56' ' ' ARG . 21.5 ttt180 -77.78 -12.67 60.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.16 0.505 . . . . 10.0 110.458 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -87.33 -8.15 57.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.426 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.5 pt -134.0 171.34 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.368 . . . . 10.0 111.137 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -136.51 133.92 37.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HB3' HD12 ' A' ' 67' ' ' ILE . 79.1 m-85 -104.27 133.74 48.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.848 0.356 . . . . 10.0 110.089 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.66 142.58 51.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.724 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 81.7 t80 -136.54 120.46 17.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.427 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.19 14.91 9.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.485 0.66 . . . . 10.0 110.859 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -0.64 59.42 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.258 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -115.58 148.55 41.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.487 0.184 . . . . 10.0 110.864 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.73 153.7 68.75 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.591 2.194 . . . . 10.0 112.242 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 60' ' ' PHE . 37.9 mt -104.32 135.53 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.922 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -94.84 158.86 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.47 25.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.731 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.39 18.9 2.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.38 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -100.46 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.262 0.553 . . . . 10.0 111.618 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -130.41 159.74 69.23 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 10.0 109.165 178.739 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.52 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 50.8 Cg_exo -55.22 -44.8 45.66 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.413 2.076 . . . . 10.0 112.016 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.33 -32.8 73.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.498 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 24.6 tp60 -68.38 -33.43 74.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.678 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.29 6.05 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.64 -0.254 . . . . 10.0 111.428 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 61.45 36.64 17.13 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.509 0.506 . . . . 10.0 110.741 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.3 mtp -77.47 142.15 39.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.179 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 6.1 mm-40 -122.68 175.61 6.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.799 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 9.1 t70 -61.72 137.18 58.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.363 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 6.6 mm-40 75.83 15.24 2.57 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 124.026 0.829 . . . . 10.0 111.952 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -68.39 140.49 55.84 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -104.35 129.72 52.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.05 127.48 69.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.201 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -94.02 135.17 35.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 10.0 111.221 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 128.85 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.981 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.82 158.82 29.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.576 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -92.6 151.74 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.058 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -82.77 145.32 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -66.74 139.02 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 10.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.57 -37.42 27.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.677 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.194 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.368 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 121.06 39.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 119.728 -0.789 . . . . 10.0 111.176 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.5 125.21 42.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.638 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 198' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.37 132.5 8.56 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.037 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 18.5 m -119.16 123.39 44.27 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 117.95 0.875 . . . . 10.0 109.681 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 29.9 mt -126.33 130.81 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.731 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 201' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 33' ' ' LYS . 3.3 p -121.74 130.12 74.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.433 HG13 HG21 ' A' ' 38' ' ' THR . 8.6 pt . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.8 m80 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.746 0.308 . . . . 10.0 110.606 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 34' ' ' ILE . 18.0 tt -125.95 141.15 46.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -107.55 104.81 14.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.22 0.533 . . . . 10.0 111.27 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.406 HD22 ' HE1' ' A' ' 78' ' ' MET . 38.9 mt -99.83 166.49 11.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.316 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 83' ' ' THR . 95.8 mttt -136.57 137.52 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.318 0.58 . . . . 10.0 111.993 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 48.6 t -114.16 129.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.66 116.91 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.581 -0.282 . . . . 10.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.54 165.61 52.9 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.865 -0.684 . . . . 10.0 111.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.83 -11.31 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 10.0 111.318 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.14 -14.09 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.67 -8.15 29.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.652 -0.785 . . . . 10.0 113.325 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.7 p -63.25 141.84 58.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.18 126.2 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.239 0.542 . . . . 10.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 61.8 t -112.18 122.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.637 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -88.94 118.01 28.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.332 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.25 106.33 17.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.937 0.399 . . . . 10.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -98.72 98.27 9.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -134.57 174.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.866 -178.806 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 34' ' ' ILE . 28.0 mttt -95.0 159.54 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -65.79 -23.25 66.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.495 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -94.69 -1.02 53.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 111.346 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.595 HG21 HG13 ' B' ' 202' ' ' ILE . 55.5 m -78.56 122.68 85.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.06 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.89 136.03 65.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.829 2.353 . . . . 10.0 112.459 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.49 -9.63 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -62.67 -35.78 80.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.389 . . . . 10.0 110.331 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.856 ' HB2' HD12 ' B' ' 202' ' ' ILE . 1.8 mtpp -69.2 -30.32 68.48 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.208 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.89 -49.52 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.9 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 56.4 mtm -62.49 -43.9 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.49 -43.68 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.77 71.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.818 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.84 -34.11 64.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.82 0.343 . . . . 10.0 110.79 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' SG ' HD11 ' A' ' 58' ' ' ILE . 2.3 t -67.2 -39.96 86.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.67 -32.95 74.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.511 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 66.3 mtt180 -69.46 -26.17 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.674 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -92.08 -14.67 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.283 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.94 38.36 84.66 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.488 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.1 mt -129.26 165.59 21.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 10.0 110.666 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -74.47 139.6 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 10.0 110.408 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.2 ttp -68.26 -23.65 64.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -74.98 -12.45 60.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.17 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -86.48 -13.24 46.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.105 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.455 HD11 ' SG ' ' A' ' 48' ' ' CYS . 1.6 pt -120.51 171.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 10.0 111.701 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -138.43 128.01 24.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.871 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' A' ' 67' ' ' ILE . 17.8 m-85 -102.16 130.29 48.75 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -127.02 136.08 51.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.245 0.545 . . . . 10.0 111.134 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -132.03 128.37 38.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.068 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.67 22.02 12.95 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.758 0.79 . . . . 10.0 109.795 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.66 -2.34 87.27 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.96 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -111.22 141.43 24.33 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.927 0.363 . . . . 10.0 110.831 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.72 138.73 71.03 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.47 2.113 . . . . 10.0 111.281 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 60' ' ' PHE . 10.1 mt -88.94 139.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.8 0.333 . . . . 10.0 110.87 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.9 162.1 13.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.883 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.32 5.27 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.191 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 11.0 13.97 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -106.75 163.81 12.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 10.0 111.881 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.96 163.68 48.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.504 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.53 -42.62 63.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.334 2.023 . . . . 10.0 111.653 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.71 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.86 -37.82 87.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 10.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.81 0.84 56.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.63 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 56.64 47.65 18.0 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.556 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.406 ' HE1' HD22 ' A' ' 20' ' ' LEU . 93.0 mtp -78.56 159.78 27.96 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.267 -0.879 . . . . 10.0 111.38 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.44 -179.97 5.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.892 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.91 155.86 37.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.65 20.32 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.556 0.535 . . . . 10.0 111.027 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.15 121.45 25.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.342 -0.39 . . . . 10.0 109.952 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -91.26 133.3 35.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.923 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.66 131.68 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.409 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -93.92 137.38 33.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.064 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.8 120.31 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -115.14 158.75 21.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.597 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -96.6 141.86 29.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.672 0.273 . . . . 10.0 110.654 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -72.69 143.67 48.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -58.44 144.77 40.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.15 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -132.16 78.5 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.515 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.325 -179.543 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.84 122.75 42.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.187 -0.605 . . . . 10.0 110.373 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.14 129.51 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 198' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.7 129.48 7.88 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.401 -1.08 . . . . 10.0 110.401 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 55.2 m -122.04 124.43 43.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.206 1.003 . . . . 10.0 110.826 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.463 HG12 ' CZ ' ' A' ' 50' ' ' ARG . 31.0 mt -125.08 129.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.246 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -121.69 126.59 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.856 HD12 ' HB2' ' A' ' 42' ' ' LYS . 5.5 pt . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 120.986 0.422 . . . . 10.0 110.181 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 m80 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.685 0.279 . . . . 10.0 110.543 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.2 tt -95.5 138.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -95.39 111.0 22.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.025 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.44 153.36 23.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.116 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -116.87 133.34 56.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.928 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 35.9 t -101.12 124.25 54.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.446 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.98 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.907 0.384 . . . . 10.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.8 156.73 23.21 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.787 -0.721 . . . . 10.0 111.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -72.8 -32.91 65.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.607 0.241 . . . . 10.0 111.187 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.36 -15.46 37.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.354 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.88 -10.29 15.72 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.37 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 p -56.87 129.98 43.81 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.026 0.413 . . . . 10.0 110.723 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.43 124.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.531 0.682 . . . . 10.0 110.719 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 99.2 t -120.61 127.76 75.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.83 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -93.52 124.86 37.8 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.02 122.42 45.2 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.127 0.489 . . . . 10.0 111.758 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -102.43 109.5 21.16 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD12 HD11 ' B' ' 202' ' ' ILE . 7.1 tt -142.22 159.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.866 -178.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.553 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 24.3 mttp -93.52 170.57 9.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.907 0.384 . . . . 10.0 110.19 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -68.93 -32.61 72.34 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -91.28 -6.63 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 3.6 m -77.32 123.05 86.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.518 0.199 . . . . 10.0 111.503 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.87 145.64 98.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.681 2.254 . . . . 10.0 112.689 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.81 -5.1 49.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.32 -47.68 84.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.479 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.432 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -70.49 -28.52 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.251 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.39 -45.62 90.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.595 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 72.0 mtm -68.72 -41.7 78.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.032 0.444 . . . . 10.0 110.606 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.29 -46.75 69.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 10.0 112.447 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' ARG . . . -54.2 -48.93 70.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 10.0 111.609 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 85.2 t80 -67.82 -40.59 83.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.884 0.373 . . . . 10.0 110.583 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.1 t -63.52 -43.35 97.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.652 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.41 -37.29 85.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 86.0 mtt180 -69.14 -23.18 63.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.163 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 8.8 mm100 -85.49 -15.38 43.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.182 0.515 . . . . 10.0 109.751 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.68 40.66 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.631 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.2 mt -130.76 172.87 11.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.926 0.393 . . . . 10.0 110.943 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 t -90.1 144.18 26.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.385 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.2 ttp -64.06 -15.46 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 10.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 56' ' ' ARG . 27.0 ttt85 -82.76 -15.68 50.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.671 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -83.56 -34.22 25.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.64 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.45 168.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.06 0.457 . . . . 10.0 111.57 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -131.7 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.792 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.92 126.99 45.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.384 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -125.73 144.64 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.297 0.57 . . . . 10.0 111.61 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.9 t80 -132.02 123.98 28.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.459 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 64.61 19.47 11.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.608 0.718 . . . . 10.0 110.36 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.87 -10.12 70.43 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.663 -0.699 . . . . 10.0 113.03 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.9 143.2 27.11 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.873 0.336 . . . . 10.0 110.64 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.2 140.72 96.15 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.818 2.345 . . . . 10.0 112.121 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.9 mt -81.91 127.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.015 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -71.49 148.77 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.415 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.85 -9.17 58.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 10.0 112.137 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.56 27.12 8.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.116 0.484 . . . . 10.0 111.029 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.44 159.39 15.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.544 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.67 159.97 61.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.141 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.52 -43.09 48.4 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.553 2.168 . . . . 10.0 111.789 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.37 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.321 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -77.33 -30.54 54.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.689 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.93 1.44 57.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.239 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 60.03 36.33 21.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.797 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 86.5 mtp -70.82 145.93 50.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.299 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 7.7 mm-40 -113.59 176.95 4.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -72.34 140.54 48.54 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.2 mt-10 75.71 10.49 3.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.941 0.776 . . . . 10.0 111.062 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -64.53 140.14 58.84 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -105.96 135.79 46.77 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.4 mt -108.65 132.9 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.8 136.73 33.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.916 0.389 . . . . 10.0 111.693 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -118.18 118.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.938 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -116.71 172.74 7.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -117.98 145.99 44.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.661 0.267 . . . . 10.0 110.721 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -79.69 138.17 37.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.064 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -64.93 132.63 49.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.135 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -26.73 62.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 10.0 110.781 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.78 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 24.4 m -118.68 127.41 53.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.896 0.379 . . . . 10.0 111.1 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.7 128.26 50.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.419 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 198' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.85 132.29 8.61 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.734 -0.546 . . . . 10.0 111.734 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 48.6 m -119.58 125.09 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.946 0.873 . . . . 10.0 110.512 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 36.8 mt -124.54 129.54 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.944 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.43 129.27 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 34' ' ' ILE . 4.9 pt . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.201 0.524 . . . . 10.0 110.272 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.213 -0.291 . . . . 10.0 110.213 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.413 ' NE2' ' HE3' ' A' ' 35' ' ' LYS . 79.9 m80 -100.82 152.19 20.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.7 tt -105.4 123.43 59.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -90.81 107.23 19.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.289 0.566 . . . . 10.0 111.157 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -98.24 161.93 13.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.234 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.2 mttt -128.8 140.59 51.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 10.0 111.581 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.461 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 63.9 t -113.89 125.99 71.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.69 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.352 . . . . 10.0 110.897 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.76 158.4 52.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.753 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -75.64 -4.73 41.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.334 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -99.8 -30.31 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 10.0 109.928 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -14.96 5.35 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -61.79 137.43 58.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.181 0.515 . . . . 10.0 111.031 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -109.28 127.07 66.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.204 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 5.6 t -119.34 122.5 69.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.77 121.59 40.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 3.0 m-85 -103.28 116.32 32.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.371 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -97.05 98.19 9.86 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -134.37 172.61 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.74 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.3 mttt -101.08 160.88 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.896 -0.322 . . . . 10.0 110.513 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -65.81 -25.98 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -87.15 -11.64 49.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.293 0.568 . . . . 10.0 110.057 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.495 HG21 HG13 ' B' ' 202' ' ' ILE . 98.5 m -75.89 121.91 85.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.171 -0.922 . . . . 10.0 111.536 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 31.9 Cg_exo -58.64 141.14 97.32 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.924 2.416 . . . . 10.0 112.222 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -76.77 -6.33 51.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.87 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.634 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.51 -27.09 64.89 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 8.5 tt -65.63 -47.01 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.609 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 41' ' ' SER . 51.7 mttt -67.59 -46.3 73.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.344 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.15 74.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.702 0.287 . . . . 10.0 111.606 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 t80 -69.49 -40.03 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.335 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.38 -38.73 90.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.946 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 72.9 mm-40 -62.1 -35.36 78.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.93 0.395 . . . . 10.0 110.662 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -73.76 -23.89 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.634 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.1 mm100 -81.49 -30.62 33.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 31.69 25.96 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.44 -0.8 . . . . 10.0 112.591 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 mt -135.91 171.39 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.915 0.388 . . . . 10.0 111.274 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.5 t -76.12 144.18 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.267 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.2 ttp -69.65 -10.74 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.214 0.531 . . . . 10.0 110.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -84.28 -9.82 58.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -88.58 -29.7 19.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 10.0 111.323 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 pt -105.36 167.82 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.379 . . . . 10.0 111.664 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -136.91 133.2 35.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.976 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -104.66 134.3 48.06 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -130.02 139.92 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 10.0 111.443 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -132.46 119.82 21.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.848 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 67.07 25.89 9.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.893 0.854 . . . . 10.0 109.741 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.5 2.46 90.62 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.372 -0.831 . . . . 10.0 112.64 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 60.9 mm-40 -114.5 140.34 25.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 122.767 -0.254 . . . . 10.0 110.452 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.7 Cg_exo -67.76 141.29 53.88 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.54 2.16 . . . . 10.0 111.93 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.92 142.83 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.783 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.12 170.29 8.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.812 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -84.76 21.11 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 10.0 111.281 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 p -129.42 15.17 6.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.129 0.49 . . . . 10.0 110.67 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -104.43 151.68 23.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.501 . . . . 10.0 111.912 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 159.21 73.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.581 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.84 -39.29 88.16 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.36 2.04 . . . . 10.0 112.07 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.87 -10.4 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -95.38 -31.67 13.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 10.0 110.301 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.97 6.5 48.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.267 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 57.8 43.45 21.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.298 0.571 . . . . 10.0 111.202 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.8 mtp -83.66 147.4 27.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.289 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.1 tm-20 -120.83 -177.48 3.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.711 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -68.03 144.07 55.27 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.119 -0.232 . . . . 10.0 110.579 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 10.9 mt-10 72.15 12.83 5.85 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.884 0.74 . . . . 10.0 111.535 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.42 123.75 21.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.5 m -94.8 136.95 34.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.126 0.489 . . . . 10.0 112.094 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.1 mt -112.3 136.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.186 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.16 137.37 32.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.769 0.319 . . . . 10.0 110.793 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.6 t -121.27 114.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -113.0 179.92 3.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.758 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.08 150.94 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.83 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.82 147.29 28.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -71.03 129.83 39.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 p -86.6 12.52 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.383 . . . . 10.0 111.581 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.0 -179.85 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 m -117.83 123.86 46.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.436 0.636 . . . . 10.0 111.534 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.09 130.21 51.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.19 -0.914 . . . . 10.0 109.773 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 198' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.75 130.93 8.49 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.658 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 124.11 47.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 117.57 0.685 . . . . 10.0 110.089 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 12.5 mt -124.61 130.15 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.477 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.57 128.58 76.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.495 HG13 HG21 ' A' ' 38' ' ' THR . 6.5 pt -121.18 133.27 68.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.04 0.448 . . . . 10.0 109.879 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.446 ' HB2' HG23 ' A' ' 38' ' ' THR . 7.8 t70 -115.26 132.38 56.63 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.624 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.314 -179.633 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.231 0 N-CA-C 110.413 -0.217 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -110.58 116.33 31.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.054 0.454 . . . . 10.0 110.592 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 tt -94.79 137.69 22.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.403 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -110.14 103.85 12.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.902 0.382 . . . . 10.0 110.637 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.92 155.28 19.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.638 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -116.56 113.67 23.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -100.23 106.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.53 132.43 52.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.57 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.9 168.07 29.93 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -74.86 -12.72 60.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.031 0.443 . . . . 10.0 111.04 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.26 -30.59 38.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.581 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.89 -10.5 7.47 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.737 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -78.56 136.52 37.55 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.812 0.306 . . . . 10.0 110.26 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.19 129.29 74.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.064 0.459 . . . . 10.0 110.233 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 120.04 61.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.562 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -76.57 123.91 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CZ ' HG21 ' B' ' 200' ' ' ILE . 0.7 OUTLIER -102.08 107.01 17.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 -178.102 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HZ2' HG21 ' B' ' 201' ' ' VAL . 37.8 tttm -87.85 99.76 12.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.989 -1.115 . . . . 10.0 107.989 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.21 166.49 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.656 -179.181 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 34' ' ' ILE . 48.2 mttt -99.08 156.8 16.75 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -64.52 -20.59 66.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.577 0.227 . . . . 10.0 111.475 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -91.99 -6.85 50.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.092 0.473 . . . . 10.0 110.598 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.501 HG23 ' HB2' ' B' ' 204' ' ' ASP . 42.4 m -79.39 123.74 84.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.259 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.811 ' HA ' HG22 ' A' ' 72' ' ' THR . 31.8 Cg_exo -59.73 150.97 73.8 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.998 2.465 . . . . 10.0 113.019 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.99 -3.14 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.271 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 p -60.7 -48.48 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 110.276 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -67.52 -28.24 67.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.213 179.182 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 3.6 tt -64.61 -42.77 95.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.383 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.2 mtm -76.92 -24.0 52.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.699 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -92.09 -41.05 10.71 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.026 0.441 . . . . 10.0 111.339 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -65.53 -35.21 80.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.446 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.41 -40.12 93.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.971 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.43 -28.27 68.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.946 0.403 . . . . 10.0 110.555 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' B' ' 200' ' ' ILE . 33.1 mtt180 -70.27 -44.18 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.73 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.5 -22.63 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.792 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.69 51.15 5.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.478 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -136.32 179.64 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.98 145.5 25.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.4 ttp -63.26 -19.81 64.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.786 0.327 . . . . 10.0 111.553 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -88.03 -3.43 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.836 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -93.46 -24.05 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 10.0 110.666 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 pt -116.95 157.75 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -128.83 142.91 50.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.512 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -115.36 142.58 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.463 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -131.54 147.16 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.074 0.464 . . . . 10.0 111.455 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 70.1 t80 -145.41 120.8 10.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.323 -0.853 . . . . 10.0 108.94 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 63.14 24.21 14.3 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.626 0.727 . . . . 10.0 110.337 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.1 -3.47 87.06 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.656 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -106.18 152.01 40.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.18 152.51 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.353 2.035 . . . . 10.0 111.419 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.07 130.3 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.001 0.429 . . . . 10.0 110.629 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -101.4 162.24 13.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.87 22.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.2 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.63 17.0 6.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.473 -0.33 . . . . 10.0 111.521 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -119.95 163.65 17.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.124 0.488 . . . . 10.0 112.032 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.811 HG22 ' HA ' ' A' ' 39' ' ' PRO . 65.2 p -136.87 165.2 36.87 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.945 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -56.84 -39.34 92.08 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.093 1.862 . . . . 10.0 111.195 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.04 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.037 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.444 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.3 tp60 -73.22 -32.3 64.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.38 . . . . 10.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.35 -2.56 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 58.57 49.07 10.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.229 0.538 . . . . 10.0 110.399 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.471 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 85.9 mtp -79.95 156.52 27.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.332 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.6 OUTLIER -116.44 175.72 5.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.893 -179.514 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.04 143.61 55.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.811 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.32 16.67 9.29 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.682 0.614 . . . . 10.0 111.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.77 128.45 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -92.27 130.33 37.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.241 0.543 . . . . 10.0 112.292 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.404 HD13 HD21 ' A' ' 43' ' ' LEU . 14.5 mt -102.77 134.69 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.167 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.63 139.7 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.82 0.343 . . . . 10.0 111.618 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.8 t -123.87 124.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -128.79 171.16 12.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.226 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -106.44 154.08 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 10.0 110.309 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -81.75 137.08 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.6 111.78 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.205 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.28 63.37 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.352 -179.678 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.44 123.26 44.77 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.586 0.708 . . . . 10.0 110.582 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.17 128.14 47.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.658 -1.156 . . . . 10.0 109.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.57 132.84 9.19 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.695 -0.764 . . . . 10.0 111.769 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 64.0 m -117.98 123.11 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.392 0.596 . . . . 10.0 110.188 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.543 HG21 ' CZ ' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -124.46 130.88 73.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.171 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 201' ' ' VAL . . . . . 0.408 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -122.22 126.35 74.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.636 -0.425 . . . . 10.0 110.895 177.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.426 HG13 HG21 ' A' ' 38' ' ' THR . 11.4 pt -123.69 126.03 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 176.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.501 ' HB2' HG23 ' A' ' 38' ' ' THR . 9.6 t70 -118.12 123.88 46.67 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.483 0.659 . . . . 10.0 111.145 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.055 0.455 . . . . 10.0 110.891 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 110.005 -0.368 . . . . 10.0 110.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -132.02 120.96 23.13 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.914 0.388 . . . . 10.0 110.082 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.45 136.67 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.836 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -111.08 113.66 26.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 10.0 110.978 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.3 mt -101.61 164.21 11.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.689 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -128.67 104.19 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.641 0.257 . . . . 10.0 110.972 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.04 130.85 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.45 142.49 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.177 0.513 . . . . 10.0 112.261 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.01 166.0 13.36 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.563 -1.015 . . . . 10.0 110.563 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.67 -2.21 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.274 0.537 . . . . 10.0 111.907 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -96.17 -30.04 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.804 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.55 -11.29 7.54 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.29 -0.957 . . . . 10.0 112.954 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 p -64.19 149.74 47.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.831 0.316 . . . . 10.0 110.189 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.14 126.94 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 10.0 110.242 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.54 HG12 ' HB ' ' B' ' 200' ' ' ILE . 2.2 t -118.06 115.66 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.209 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -67.71 122.19 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.397 -0.819 . . . . 10.0 108.809 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -102.47 100.7 10.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -178.646 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HZ2' HG21 ' B' ' 201' ' ' VAL . 36.1 tttm -92.18 104.72 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.81 173.46 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 34' ' ' ILE . 42.4 mttp -97.1 172.6 7.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.56 -16.57 60.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.051 -0.405 . . . . 10.0 111.722 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -105.43 8.44 33.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.993 0.425 . . . . 10.0 110.947 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.487 HG21 HG13 ' B' ' 202' ' ' ILE . 4.4 m -84.85 123.15 74.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.775 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 23.7 Cg_exo -62.86 148.6 93.25 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 10.0 112.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 94.6 mt -80.54 -1.58 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.346 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -47.15 85.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.988 0.423 . . . . 10.0 110.23 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -67.1 -28.46 68.19 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.104 179.439 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -61.95 -42.41 99.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.748 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.9 mtm -74.74 -41.48 60.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.463 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -71.42 -42.81 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.08 89.08 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.678 0.275 . . . . 10.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.29 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.12 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -62.26 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.429 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.34 -36.69 79.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.475 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -61.89 -38.57 88.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -85.01 -25.26 27.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.466 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.66 42.39 8.38 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.909 -0.662 . . . . 10.0 112.185 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -125.28 -174.41 3.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.068 0.461 . . . . 10.0 110.721 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 t -106.63 139.07 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.389 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttp -64.36 -17.29 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 10.0 111.295 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -84.91 -18.75 33.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 10.0 109.999 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -88.5 -8.5 54.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.982 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.67 168.0 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.023 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -137.73 146.74 44.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.913 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 67' ' ' ILE . 95.1 m-85 -120.45 133.55 55.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.41 . . . . 10.0 110.697 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.33 144.97 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.057 0.456 . . . . 10.0 111.099 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 77.2 t80 -141.77 123.75 15.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 62.2 26.42 15.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.618 0.574 . . . . 10.0 111.248 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 -4.82 85.64 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.06 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -112.92 144.25 30.7 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.727 0.299 . . . . 10.0 110.672 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.52 133.81 26.92 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.642 2.228 . . . . 10.0 112.174 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.452 HD12 ' HB3' ' A' ' 60' ' ' PHE . 16.8 mt -81.58 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.471 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.39 178.87 5.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -87.47 -13.87 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 10.0 110.282 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.5 p -105.73 23.48 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.324 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.82 139.18 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.957 0.408 . . . . 10.0 111.507 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.19 158.41 50.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.202 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -42.34 69.75 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.55 2.167 . . . . 10.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.09 59.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.319 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -67.86 -37.41 81.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.214 0.531 . . . . 10.0 110.192 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.14 -2.36 52.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.442 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 54.92 53.06 10.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.865 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 79.9 mtp -82.52 149.5 27.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.24 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -110.4 -171.07 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.76 145.03 36.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 65.24 16.47 10.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.821 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.31 132.48 48.48 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 9.3 m -100.93 123.4 45.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.1 mt -94.73 136.14 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 10.0 108.902 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -91.46 125.98 36.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.866 0.365 . . . . 10.0 111.108 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.77 130.09 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.3 162.77 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.787 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -97.56 148.58 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.381 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -79.97 140.75 36.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -58.14 146.93 31.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.22 -9.76 41.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.229 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.95 125.88 50.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.193 -0.603 . . . . 10.0 110.861 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.75 125.35 46.36 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.026 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 198' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.43 133.65 9.33 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -115.77 124.23 50.23 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.54 ' HB ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -122.65 128.5 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.029 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 201' ' ' VAL . . . . . 0.428 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 2.4 p -125.53 128.78 72.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 122.0 -0.438 . . . . 10.0 111.434 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.487 HG13 HG21 ' A' ' 38' ' ' THR . 9.4 pt -122.21 126.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.455 -0.943 . . . . 10.0 108.455 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -119.99 125.81 49.28 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--O 1.237 0.429 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.358 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--O 1.233 0.226 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.423 ' NE2' ' HE2' ' A' ' 35' ' ' LYS . 43.4 m80 -93.88 130.86 39.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.478 . . . . 10.0 111.016 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.9 tt -108.58 131.91 57.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.285 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -98.74 124.68 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.073 0.464 . . . . 10.0 111.176 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt -115.31 148.1 39.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.181 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -106.95 122.38 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.028 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 59.2 t -88.64 129.78 39.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.29 19.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 10.0 111.413 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.76 150.9 20.56 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.118 -0.563 . . . . 10.0 111.708 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -74.33 -6.05 45.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.785 0.326 . . . . 10.0 111.669 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.3 -19.03 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.096 0.474 . . . . 10.0 110.541 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -6.05 24.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.953 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -73.26 131.27 41.75 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 117.23 0.515 . . . . 10.0 109.612 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -110.17 129.63 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.203 0.525 . . . . 10.0 110.83 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 93.7 t -118.8 126.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.507 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -92.87 115.49 28.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.388 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.85 116.39 29.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -100.98 96.05 6.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.33 169.05 19.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.414 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HE2' ' NE2' ' A' ' 17' ' ' HIS . 14.0 mtmt -95.11 154.83 16.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -65.46 -28.5 69.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.978 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -91.67 9.67 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 10.0 111.647 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.4 m -102.08 123.6 42.91 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.735 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.471 ' HA ' HG22 ' A' ' 72' ' ' THR . 51.2 Cg_exo -54.65 145.7 58.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.248 2.632 . . . . 10.0 112.836 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.4 -1.59 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.122 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.99 -44.4 91.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.09 -29.46 62.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.306 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD21 HD13 ' A' ' 84' ' ' ILE . 1.5 tt -63.05 -40.01 96.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.059 0.457 . . . . 10.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.2 mtm -75.97 -38.98 56.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.421 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.04 -51.36 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.116 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.95 79.58 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 10.0 110.496 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 55' ' ' MET . 8.0 t -71.52 -29.28 64.61 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -63.57 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.448 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.454 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.6 -30.99 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.02 27.55 37.12 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.793 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.4 mt -137.17 170.76 15.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.705 0.288 . . . . 10.0 110.875 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.39 138.68 41.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.342 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.501 ' HA ' ' SG ' ' A' ' 48' ' ' CYS . 40.3 ttp -65.5 -20.74 66.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.075 0.464 . . . . 10.0 110.809 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -77.52 -12.48 59.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.972 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -80.15 -29.25 38.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 10.0 111.021 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 pt -113.07 171.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.368 . . . . 10.0 111.468 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -130.97 146.86 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.059 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -117.85 131.48 56.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.309 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -126.67 151.28 48.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 10.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 69.6 t80 -148.63 124.92 10.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.173 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t0 64.92 21.93 12.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.533 0.682 . . . . 10.0 109.805 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.65 -7.85 80.82 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.817 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 59.9 mm-40 -106.08 147.24 34.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 122.603 -0.351 . . . . 10.0 110.89 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 7.6 Cg_exo -72.26 130.7 16.71 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.757 2.305 . . . . 10.0 112.458 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mt -77.85 137.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -105.17 165.2 11.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -70.29 -12.26 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.76 20.19 19.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.347 . . . . 10.0 111.385 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -96.66 146.04 25.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.144 0.497 . . . . 10.0 111.344 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -129.11 157.42 76.01 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.893 179.048 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.83 -41.93 70.18 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.315 2.01 . . . . 10.0 111.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.13 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.702 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.54 -39.19 38.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 10.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.1 mt -91.98 8.24 38.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 55.28 45.4 25.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.391 0.615 . . . . 10.0 110.567 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.543 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 58.8 mtp -78.77 155.69 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.384 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.89 176.16 8.94 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.247 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.4 t70 -65.72 145.75 55.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.85 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 20.7 mt-10 73.27 17.96 3.85 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.89 0.743 . . . . 10.0 111.78 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 153.01 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 m -110.79 124.56 52.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.341 0.591 . . . . 10.0 112.09 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.419 HD13 HD21 ' A' ' 43' ' ' LEU . 12.8 mt -99.36 121.03 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.759 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.31 124.56 35.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.21 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.27 128.01 68.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.057 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -125.98 179.15 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.374 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -118.12 161.71 19.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.742 0.306 . . . . 10.0 110.619 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -94.32 138.56 32.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.346 -0.388 . . . . 10.0 109.954 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.13 124.22 19.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.239 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -3.09 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.311 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.531 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.872 179.694 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.1 m -117.5 123.24 45.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.45 0.643 . . . . 10.0 111.538 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.63 128.48 46.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.026 -0.988 . . . . 10.0 110.09 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.36 131.46 8.14 Favored Glycine 0 C--O 1.22 -0.746 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.412 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.18 124.27 46.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.056 0.928 . . . . 10.0 110.001 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 18.9 mt -126.6 130.27 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.059 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.79 131.25 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 122.176 -0.328 . . . . 10.0 110.154 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 13.7 pt -120.51 128.21 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.476 -0.489 . . . . 10.0 110.339 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -129.51 130.7 46.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.354 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.744 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.618 0.247 . . . . 10.0 110.59 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 63.3 m80 -119.72 135.95 54.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.457 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 tt -96.65 124.22 49.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -92.48 121.57 34.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.034 0.445 . . . . 10.0 110.717 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -115.0 143.63 44.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -103.81 126.97 51.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 10.0 111.379 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.7 t -90.13 121.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.81 98.45 10.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.754 0.312 . . . . 10.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.24 148.94 28.7 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.911 -0.876 . . . . 10.0 110.911 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -67.3 -13.53 62.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 10.0 111.413 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -88.85 -12.77 40.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.745 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.15 -4.3 44.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.458 -0.877 . . . . 10.0 114.121 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 p -74.7 160.62 30.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 117.636 0.718 . . . . 10.0 111.065 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.57 130.56 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.236 0.541 . . . . 10.0 111.049 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 27.9 t -118.06 121.99 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.883 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -87.82 107.84 18.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.793 -0.64 . . . . 10.0 109.653 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.2 m-85 -94.18 109.28 21.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -94.73 99.22 11.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.14 162.53 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.358 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 34' ' ' ILE . 65.2 mttt -88.85 167.36 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.716 0.293 . . . . 10.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -73.8 -18.96 60.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -92.0 -20.7 21.07 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.733 -0.387 . . . . 10.0 111.474 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.51 120.67 64.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.285 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.485 ' HA ' HG22 ' A' ' 72' ' ' THR . 39.1 Cg_exo -59.62 142.34 98.66 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.683 2.255 . . . . 10.0 111.554 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.23 -4.99 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.782 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.29 -33.36 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -66.91 -38.52 86.38 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.415 -0.812 . . . . 10.0 109.182 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.68 -27.13 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.042 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 55' ' ' MET . 77.5 mtm -85.11 -5.53 59.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.139 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -117.22 -34.88 4.2 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.76 -59.24 4.87 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.924 0.712 . . . . 10.0 112.924 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -69.68 -30.92 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.008 0.432 . . . . 10.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.77 -42.81 98.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.362 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.31 -30.67 68.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.325 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.48 -40.17 81.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 10.0 110.034 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -79.82 -20.12 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.33 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.69 31.91 48.01 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.582 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.5 mt -107.4 175.53 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.529 . . . . 10.0 110.999 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -94.36 142.52 27.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.03 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 44' ' ' MET . 7.8 ttp -69.64 -14.84 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 10.0 109.855 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.34 -12.67 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.735 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -82.44 -32.77 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.628 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 pt -110.01 168.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.399 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -133.86 142.95 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.804 -0.634 . . . . 10.0 109.92 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -116.8 125.31 51.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.574 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . 79.7 mtt180 -122.86 146.28 47.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.45 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 9.4 t80 -137.9 113.2 9.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.696 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 60.9 40.8 15.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.902 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.9 -40.74 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.723 . . . . 10.0 113.473 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.6 mm-40 -89.42 133.62 34.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.986 0.393 . . . . 10.0 111.354 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HA ' ' HA ' ' A' ' 61' ' ' ARG . 24.4 Cg_exo -64.08 149.96 89.33 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.968 2.445 . . . . 10.0 112.119 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.9 mt -88.37 129.13 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.828 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -89.87 163.06 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -83.16 22.95 0.92 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.59 29.3 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.768 0.318 . . . . 10.0 111.6 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -126.68 152.34 46.88 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 111.59 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 39' ' ' PRO . 7.7 p -119.02 164.95 18.43 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.929 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.714 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -57.52 -38.18 94.79 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.435 2.09 . . . . 10.0 111.864 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.5 -33.85 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.561 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -64.03 -36.21 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.48 0.45 56.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.124 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 55.99 51.16 12.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.126 0.488 . . . . 10.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.714 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 38.4 mtp -82.61 156.15 24.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.183 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -110.99 172.9 6.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.37 145.72 37.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 62.65 38.23 12.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.28 -177.67 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.63 . . . . 10.0 109.422 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -125.44 138.98 54.02 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.36 129.85 70.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.227 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.25 128.69 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 10.0 111.345 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.93 112.62 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.389 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -113.99 173.81 6.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.399 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -118.06 144.85 45.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.435 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -73.05 143.04 47.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.16 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -60.34 126.89 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.366 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 3.64 54.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.342 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.058 -0.592 . . . . 10.0 111.99 179.689 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 6.7 m -118.13 125.64 50.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.347 0.594 . . . . 10.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.38 128.79 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.462 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.55 131.49 8.58 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.817 -0.913 . . . . 10.0 110.817 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.7 m -117.76 123.68 46.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.815 0.807 . . . . 10.0 110.257 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.518 HD12 ' CE1' ' A' ' 32' ' ' PHE . 22.6 mt -125.47 131.35 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.083 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.0 p -122.74 126.69 74.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -123.33 131.14 73.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -122.78 134.96 54.41 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 114.908 -1.042 . . . . 10.0 110.41 -179.549 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.808 0.337 . . . . 10.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -89.28 154.34 20.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.3 tt -128.58 138.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 55.0 m-80 -103.6 130.86 51.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.991 0.425 . . . . 10.0 111.13 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.9 mt -116.58 163.81 15.53 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 83' ' ' THR . 98.5 mttt -118.54 135.18 54.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.389 0.614 . . . . 10.0 112.23 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.57 117.7 52.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.366 -0.975 . . . . 10.0 108.366 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.81 48.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.481 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.65 170.58 54.23 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.703 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -72.97 -13.5 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 10.0 111.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.57 -10.8 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.037 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.7 -4.49 36.8 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.989 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -69.42 143.0 53.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -127.1 130.0 71.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.813 0.339 . . . . 10.0 110.725 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -115.57 123.34 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.183 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -80.94 115.02 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -93.5 107.93 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.842 -178.682 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.13 102.81 14.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.74 171.84 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.598 -178.592 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 34' ' ' ILE . 32.1 mttp -94.03 159.68 15.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -71.74 -7.36 47.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -101.86 -5.48 24.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 10.0 110.693 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.3 m -78.69 119.45 77.33 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.981 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.99 150.96 81.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.825 2.35 . . . . 10.0 111.816 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 35.3 mt -71.67 -8.97 57.39 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -64.27 -35.23 80.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 10.0 109.733 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.636 ' HB3' HD12 ' B' ' 202' ' ' ILE . 14.2 tttp -64.41 -43.33 94.73 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.01 -0.995 . . . . 10.0 110.218 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HG ' ' CZ ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -57.55 -43.85 84.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.031 179.605 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 50.0 ttm -65.37 -41.33 93.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.213 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -82.33 -41.61 19.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -72.44 -27.97 62.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 10.0 110.495 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 58' ' ' ILE . 6.4 t -62.3 -37.63 86.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.581 -0.525 . . . . 10.0 109.581 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -68.43 -31.97 71.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.602 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -68.38 -25.56 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -97.45 -19.73 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.48 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.1 46.27 59.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.44 -179.78 5.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.629 0.252 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -93.14 144.95 24.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.057 0.456 . . . . 10.0 110.705 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.8 -16.4 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.628 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt85 -92.08 2.09 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -107.2 -29.82 9.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.94 0.4 . . . . 10.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.532 HD11 ' SG ' ' A' ' 48' ' ' CYS . 9.1 pt -110.71 137.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.72 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -116.73 144.94 43.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.404 ' CE1' ' HG3' ' A' ' 44' ' ' MET . 94.5 m-85 -119.37 140.12 50.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.834 0.35 . . . . 10.0 110.779 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.2 145.4 51.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 10.0 111.963 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -142.44 134.44 27.25 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.926 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 59.92 27.57 16.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 10.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.85 8.3 87.3 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.757 -0.656 . . . . 10.0 113.201 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -124.1 149.65 61.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.986 0.393 . . . . 10.0 111.098 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.34 136.87 38.33 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.512 2.141 . . . . 10.0 111.485 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.26 129.7 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.843 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -88.3 164.6 15.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -78.66 -6.22 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -111.01 11.61 22.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.58 0.705 . . . . 10.0 110.462 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 11.4 m-20 -83.16 141.77 31.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 151.09 56.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 51.7 Cg_exo -53.98 -45.51 40.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.785 2.324 . . . . 10.0 112.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.76 -17.81 61.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.344 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -83.64 -34.12 25.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 10.0 110.653 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt -92.08 9.75 32.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 55.77 48.97 17.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 91.7 mtp -82.91 153.43 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.759 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.25 -160.47 1.14 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.2 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 156.67 37.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.582 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 62.03 25.87 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 112.093 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.22 126.92 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 4.5 m -114.89 128.05 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.92 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.91 131.42 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.873 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.11 138.83 32.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.565 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -111.73 132.51 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.79 167.39 18.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -123.55 147.7 47.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 10.0 110.777 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.21 154.49 41.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -72.84 141.25 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.371 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -27.44 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.92 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 C-N-CA 120.886 -0.673 . . . . 10.0 111.704 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.237 0.423 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.05 120.69 38.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.604 -0.838 . . . . 10.0 110.825 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.35 127.19 43.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.094 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.02 131.22 8.34 Favored Glycine 0 N--CA 1.437 -1.239 0 C-N-CA 120.352 -0.927 . . . . 10.0 110.79 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.72 122.97 44.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.686 0.743 . . . . 10.0 109.018 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 15.6 tt -125.13 127.89 72.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.484 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.7 p -122.74 128.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.468 -0.493 . . . . 10.0 110.623 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 42' ' ' LYS . 16.0 pt -122.66 131.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 10.0 110.205 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -114.45 132.63 56.19 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.582 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 114.952 -1.022 . . . . 10.0 110.725 -179.04 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--O 1.232 0.169 0 N-CA-C 110.358 -0.238 . . . . 10.0 110.358 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -106.94 158.29 17.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 34' ' ' ILE . 17.7 tt -107.76 136.81 41.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -98.5 108.92 21.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.71 0.291 . . . . 10.0 110.692 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.9 mt -101.59 133.49 46.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.164 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.94 115.41 28.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 10.0 111.391 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 69.9 t -99.36 112.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.86 121.44 43.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.925 0.393 . . . . 10.0 111.885 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.9 37.09 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.572 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -80.09 -5.34 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 10.0 110.898 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -95.9 -14.73 22.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.07 -6.71 32.6 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.475 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.9 p -80.97 135.73 35.91 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 117.475 0.638 . . . . 10.0 110.084 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.56 135.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.061 0.458 . . . . 10.0 110.472 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 53.1 t -115.54 127.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.089 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -91.32 104.3 16.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.42 116.17 27.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.979 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -101.22 100.22 10.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -137.02 170.28 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.792 -178.652 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 34' ' ' ILE . 24.5 mttp -99.77 160.85 13.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -63.52 -24.98 68.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -91.28 3.72 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.481 . . . . 10.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.47 HG21 HG13 ' B' ' 202' ' ' ILE . 20.5 m -93.51 117.99 67.45 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.943 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.06 140.86 80.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.125 2.55 . . . . 10.0 112.99 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -74.97 -5.3 43.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.663 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.95 96.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.487 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HB2' HD12 ' B' ' 202' ' ' ILE . 1.4 mtpp -67.34 -34.64 77.76 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.7 -43.82 97.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 73.2 mtm -69.53 -44.93 69.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.697 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 52.2 mtmt -66.32 -50.52 63.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 10.0 112.071 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.38 76.66 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.524 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 83.0 t80 -63.08 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.607 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.51 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 10.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 53.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.795 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' B' ' 200' ' ' ILE . 52.3 mtt180 -69.6 -34.11 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.532 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 11.5 mm100 -76.6 -33.5 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.039 0.447 . . . . 10.0 109.849 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.25 11.92 43.82 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.7 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.3 mt -114.62 162.27 16.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.952 0.406 . . . . 10.0 110.903 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -77.48 155.84 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.471 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.4 ttp -70.85 -9.98 58.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -89.73 -7.42 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.245 0.545 . . . . 10.0 110.042 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -100.43 -34.74 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.4 mt -99.85 129.17 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 59' ' ' ARG . 25.6 mmt180 -105.54 141.26 37.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.294 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -123.32 133.36 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.869 0.366 . . . . 10.0 111.004 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -130.02 141.6 50.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.783 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -139.13 130.38 26.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.465 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t0 68.28 10.34 7.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.48 -29.94 9.02 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.666 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -102.72 154.54 37.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.7 -0.294 . . . . 10.0 111.246 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.71 155.98 64.67 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.712 2.274 . . . . 10.0 112.143 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.8 mt -94.58 138.72 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.894 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -90.38 172.7 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.72 -8.27 59.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.711 0.291 . . . . 10.0 111.294 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.96 30.05 7.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.144 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -99.65 135.62 40.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 10.0 111.489 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.6 157.19 50.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.707 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.04 -28.44 87.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.426 2.084 . . . . 10.0 111.631 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.81 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.568 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -76.28 -47.27 24.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.134 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.4 mt -87.32 -2.73 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.512 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 77' ' ' GLU . 5.0 mm-40 53.28 63.21 2.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.87 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.9 mtp -82.2 153.05 26.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.268 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 64.9 mm-40 -107.5 166.93 10.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.651 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.09 140.24 56.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 70.95 16.38 6.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.581 . . . . 10.0 111.638 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.84 148.22 52.13 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.85 131.28 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 mt -104.42 138.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.273 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 132.05 39.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.894 0.378 . . . . 10.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 125.05 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.334 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -126.76 165.6 18.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.809 0.338 . . . . 10.0 110.643 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -110.55 138.3 47.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.269 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -66.78 146.26 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -67.35 142.2 56.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.347 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 -45.98 12.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.208 0.528 . . . . 10.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.809 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.409 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -117.17 123.81 47.61 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.392 0.615 . . . . 10.0 109.848 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.63 131.75 52.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 198' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.95 130.97 8.25 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.589 -1.005 . . . . 10.0 110.589 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 17.9 m -119.08 124.59 47.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.269 1.034 . . . . 10.0 110.375 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.412 HD11 ' HD2' ' A' ' 50' ' ' ARG . 19.9 mt -125.59 130.03 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.584 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.98 128.11 76.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.786 HD12 ' HB2' ' A' ' 42' ' ' LYS . 8.7 pt -120.3 130.47 74.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -121.74 128.46 51.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.378 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.312 -179.141 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.774 0.321 . . . . 10.0 110.535 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 40.6 m80 -81.32 141.27 34.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.19 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 tt -108.84 128.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -99.28 105.68 17.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.111 0.482 . . . . 10.0 110.965 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 mt -95.1 155.91 16.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.981 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -118.53 120.88 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.943 0.402 . . . . 10.0 111.276 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 98.9 t -89.78 128.83 41.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.44 110.5 22.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.456 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.21 161.23 39.19 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.2 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -77.26 -3.49 40.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 10.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -108.26 8.42 27.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.61 0.92 83.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.905 -0.664 . . . . 10.0 113.316 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 p -73.25 156.49 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.057 0.428 . . . . 10.0 110.743 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.7 p -134.54 133.76 54.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.088 0.471 . . . . 10.0 110.089 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 47' ' ' TYR . 66.8 t -122.84 125.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -87.02 110.31 19.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.429 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.3 m-85 -98.47 104.97 17.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.124 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -89.62 99.56 12.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.173 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.64 165.11 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 10.0 109.929 -179.178 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 37.8 mttt -90.55 159.12 16.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -68.24 -20.98 64.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.571 0.224 . . . . 10.0 111.554 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 35' ' ' LYS . 31.6 p80 -94.22 -3.94 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 10.0 110.585 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 27.8 m -81.57 122.86 81.06 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.201 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 39.9 Cg_exo -58.0 137.9 83.23 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.676 2.251 . . . . 10.0 112.11 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.66 -5.22 36.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.923 0.392 . . . . 10.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -41.73 84.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.67 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.613 ' HB2' HD12 ' B' ' 202' ' ' ILE . 2.0 mtpp -67.96 -35.87 79.11 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.12 0.486 . . . . 10.0 109.814 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.06 -32.34 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.382 -0.827 . . . . 10.0 111.329 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.96 -1.21 57.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.753 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -118.87 -38.44 3.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.59 77.66 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.759 0.281 . . . . 10.0 111.759 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CE2' HG21 ' A' ' 30' ' ' VAL . 27.0 t80 -67.35 -37.51 83.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.6 80.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.256 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.04 -34.43 78.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.199 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 89.0 mtt180 -76.8 -34.65 57.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.283 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -77.7 -25.57 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.01 34.18 27.59 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.094 -0.803 . . . . 10.0 111.094 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -120.53 172.47 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 10.0 110.648 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -96.87 144.74 26.53 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.1 ttp -62.67 -26.59 68.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.984 0.421 . . . . 10.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -84.52 -7.29 59.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -86.36 -21.18 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.003 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 pt -123.62 175.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -136.09 138.56 42.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.264 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.44 127.99 54.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.95 137.86 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.948 0.404 . . . . 10.0 111.005 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.428 ' HB2' HD11 ' A' ' 67' ' ' ILE . 92.8 t80 -132.69 128.43 36.95 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 63.59 16.77 9.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.458 0.647 . . . . 10.0 109.962 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.05 70.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.483 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 86.5 mm-40 -106.99 138.73 19.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.579 0.189 . . . . 10.0 111.097 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 22.0 Cg_exo -65.36 131.72 29.12 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.577 2.185 . . . . 10.0 111.972 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 62' ' ' PHE . 28.9 mt -80.22 135.14 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.691 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -88.5 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.26 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.49 3.38 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.744 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.4 p -126.77 49.2 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.634 0.235 . . . . 10.0 111.634 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -139.26 149.34 44.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 10.0 111.727 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 39' ' ' PRO . 11.0 p -116.55 164.95 16.38 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.026 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.62 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.4 Cg_exo -60.34 -32.32 93.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.194 1.929 . . . . 10.0 111.452 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -37.34 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.543 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -63.7 -37.6 87.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.062 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -93.63 7.01 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.588 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 52.63 53.28 12.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.187 0.518 . . . . 10.0 110.916 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 76.7 mtp -88.45 145.54 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.378 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -106.59 175.74 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.605 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 145.61 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.693 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 66.35 26.68 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.323 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 134.46 34.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.28 141.48 28.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.228 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.9 mt -121.72 134.36 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -94.32 138.21 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.119 0.485 . . . . 10.0 111.984 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.68 117.26 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.596 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.51 164.25 13.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.953 0.406 . . . . 10.0 111.421 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -97.4 147.67 23.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.527 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -84.8 148.8 26.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -59.34 115.78 3.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -30.42 70.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.112 0.482 . . . . 10.0 111.068 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 111.634 -0.587 . . . . 10.0 111.634 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.42 122.97 42.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.697 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.91 126.11 43.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.85 131.48 8.27 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 37.9 m -119.36 124.62 47.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 118.132 0.966 . . . . 10.0 110.399 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.468 HD12 ' CE1' ' A' ' 32' ' ' PHE . 21.4 mt -127.11 131.09 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.052 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.4 128.74 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 42' ' ' LYS . 6.2 pt -123.42 131.18 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.872 0.368 . . . . 10.0 110.919 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 203' ' ' SEP . . . . . 0.426 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.482 ' HB2' HG23 ' A' ' 38' ' ' THR . 5.3 t70 -121.02 130.22 53.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.037 0.446 . . . . 10.0 111.231 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.775 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--O 1.232 0.16 0 N-CA-C 110.268 -0.271 . . . . 10.0 110.268 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -119.59 154.05 34.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.545 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.403 HG23 HG23 ' A' ' 34' ' ' ILE . 14.2 tt -126.52 135.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -100.53 113.76 26.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.85 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.5 mt -100.07 161.46 13.59 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.6 mttt -130.64 130.67 44.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.185 0.517 . . . . 10.0 111.336 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -87.76 134.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.917 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.71 96.49 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.89 0.376 . . . . 10.0 110.403 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.2 152.02 26.38 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.49 -9.21 58.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 10.0 111.214 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -98.94 -6.45 28.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.715 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.4 -0.99 60.15 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.11 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 p -67.19 136.27 54.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 10.0 110.719 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.35 118.68 58.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.212 0.529 . . . . 10.0 110.174 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 47' ' ' TYR . 62.0 t -119.32 124.28 72.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.732 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -91.27 124.05 35.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CG ' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.71 114.5 28.64 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.472 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -90.36 113.06 24.86 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.58 -1.267 . . . . 10.0 107.58 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.587 HD12 HD11 ' B' ' 202' ' ' ILE . 8.9 tt -139.52 153.6 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.03 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 46.7 mttp -81.19 156.66 25.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.964 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -100.01 8.16 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.552 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 53.0 m -90.48 126.64 55.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.548 0.213 . . . . 10.0 111.075 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.17 137.54 77.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.056 2.504 . . . . 10.0 112.668 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.73 -8.41 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.456 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -34.41 71.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -64.34 -38.44 91.03 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-O 121.187 0.518 . . . . 10.0 110.475 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' CG ' ' A' ' 32' ' ' PHE . 1.5 tt -65.14 -35.46 81.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.341 -0.845 . . . . 10.0 110.955 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.7 mtm -73.45 -26.55 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.048 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -90.62 -49.24 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.52 -54.66 16.78 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.269 0.84 . . . . 10.0 113.269 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CE2' HG21 ' A' ' 30' ' ' VAL . 11.1 t80 -70.73 -32.61 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.691 -0.404 . . . . 10.0 111.107 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.5 t -64.64 -41.17 96.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.044 0.45 . . . . 10.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.63 -37.65 87.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.145 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.31 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.3 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -81.67 -12.04 58.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.996 0.427 . . . . 10.0 110.338 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.75 44.64 61.95 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.936 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.1 mt -142.35 171.08 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.729 0.299 . . . . 10.0 110.697 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -89.06 142.75 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.9 ttp -63.7 -17.27 62.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.25 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -74.83 -15.31 60.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.997 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -87.34 -25.67 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.908 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.464 HG22 ' HG2' ' A' ' 88' ' ' GLN . 5.4 pt -104.16 163.47 3.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.113 0.482 . . . . 10.0 112.086 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -135.95 128.46 30.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.521 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' HB3' HD12 ' A' ' 67' ' ' ILE . 66.0 m-85 -102.44 139.18 38.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.84 0.352 . . . . 10.0 111.048 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -133.44 135.45 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.172 0.51 . . . . 10.0 111.097 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 78.9 t80 -136.96 128.36 28.31 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.12 26.46 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.879 0.847 . . . . 10.0 109.544 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.91 5.19 84.16 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.314 -0.857 . . . . 10.0 112.615 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -119.61 145.15 38.43 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.842 -0.211 . . . . 10.0 110.444 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.53 148.79 90.63 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.41 2.074 . . . . 10.0 111.577 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 60' ' ' PHE . 14.7 mt -97.38 144.38 10.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.561 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -92.82 -172.17 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -106.64 25.12 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.231 0.539 . . . . 10.0 110.136 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.92 24.02 1.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.245 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.36 146.61 31.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.754 0.311 . . . . 10.0 111.389 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p -123.17 160.55 49.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.772 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.61 -36.76 98.3 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.348 2.032 . . . . 10.0 111.864 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.787 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -60.84 -45.76 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.664 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -84.58 7.94 18.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 54.32 50.02 17.23 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.165 0.507 . . . . 10.0 111.0 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 74.3 mtp -83.96 142.47 30.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.985 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -108.26 176.38 5.15 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.3 t70 -69.24 143.83 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 26.6 mt-10 71.95 13.57 5.96 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.624 0.578 . . . . 10.0 112.058 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.14 106.75 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 10.0 110.004 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.96 134.62 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.483 -0.781 . . . . 10.0 111.732 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.6 mt -112.16 126.51 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.163 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.72 134.15 40.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.426 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -122.18 113.89 40.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.582 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.18 -177.88 3.38 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG2' HG22 ' A' ' 58' ' ' ILE . 48.4 mt-30 -127.91 159.77 33.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.769 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -69.19 143.0 54.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 10.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.75 30.84 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.285 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.253 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.14 122.99 43.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.158 -0.617 . . . . 10.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.44 41.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.64 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 198' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.35 130.06 7.6 Favored Glycine 0 N--CA 1.442 -0.967 0 C-N-CA 120.215 -0.993 . . . . 10.0 111.621 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 4.2 p -121.53 122.69 40.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 117.643 0.721 . . . . 10.0 109.491 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 25.1 mt -125.8 128.88 72.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.22 128.15 75.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.314 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.587 HD11 HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -120.97 124.9 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 121.643 0.735 . . . . 10.0 109.681 178.604 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -118.41 130.25 55.87 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.236 0.349 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.441 -179.266 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.233 0.192 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 73.4 m80 -99.18 161.45 13.61 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.134 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.4 tt -121.71 128.36 75.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.074 0.464 . . . . 10.0 109.867 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -91.78 118.47 30.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.051 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.1 mt -115.35 135.49 54.08 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 83' ' ' THR . 89.0 mttt -106.06 114.54 28.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.936 0.398 . . . . 10.0 111.226 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.495 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.1 t -82.14 132.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.843 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 161.89 16.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.46 143.22 10.24 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -64.56 -27.59 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 10.0 110.723 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.52 -17.79 40.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.136 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.24 0.17 44.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.242 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -66.48 129.86 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.277 0.538 . . . . 10.0 110.401 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.53 129.99 57.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 10.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 33.7 t -120.65 118.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.31 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -91.53 105.09 17.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.849 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' B' ' 200' ' ' ILE . 0.8 OUTLIER -90.65 118.83 30.4 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.639 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -108.63 100.3 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -131.83 161.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.81 -178.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 34' ' ' ILE . 40.2 mttt -77.39 151.9 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.17 -20.86 65.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -93.97 1.09 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 10.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.473 HG23 ' HB2' ' B' ' 204' ' ' ASP . 95.4 m -89.51 124.94 63.04 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.359 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.548 ' HA ' HG22 ' A' ' 72' ' ' THR . 48.5 Cg_exo -56.9 143.34 92.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.056 2.504 . . . . 10.0 113.001 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.83 -4.64 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.352 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -50.15 74.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.567 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -64.31 -29.6 70.67 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.714 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.8 -43.94 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 10.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.82 -38.51 79.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.433 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.54 -47.73 58.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.483 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.79 -48.23 75.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.636 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -65.29 -39.11 92.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.016 0.436 . . . . 10.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.1 t -64.34 -43.23 95.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.34 -27.3 67.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.722 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -67.95 -38.51 82.89 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.074 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.11 30.03 26.67 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.939 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -114.26 171.33 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.574 0.226 . . . . 10.0 110.758 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -86.07 143.31 28.14 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.5 ttp -64.13 -19.89 65.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 10.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -88.5 -4.29 58.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.043 0.449 . . . . 10.0 110.553 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -89.34 -22.71 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.948 0.404 . . . . 10.0 110.66 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.9 pt -123.17 165.64 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.361 . . . . 10.0 111.231 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.23 137.51 48.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -106.31 130.92 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.9 0.381 . . . . 10.0 110.773 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -124.76 142.29 51.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.784 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 44.6 t80 -141.21 128.16 20.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 61.85 28.97 17.76 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.499 0.666 . . . . 10.0 110.378 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.03 5.07 89.74 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.647 -0.706 . . . . 10.0 113.352 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.1 mm-40 -124.12 149.66 61.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.093 0.447 . . . . 10.0 110.96 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.0 Cg_exo -68.12 132.8 27.01 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.609 2.206 . . . . 10.0 111.744 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.401 HD11 ' HB2' ' A' ' 62' ' ' PHE . 14.0 mt -80.99 131.62 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.405 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 88.9 m-20 -79.96 169.18 18.24 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.83 25.43 4.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.919 0.39 . . . . 10.0 111.446 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.9 45.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.518 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 9.8 m-20 -130.07 156.71 44.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.178 0.513 . . . . 10.0 111.924 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 39' ' ' PRO . 33.5 p -126.18 162.74 44.24 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.312 -0.858 . . . . 10.0 108.792 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.0 Cg_exo -58.8 -32.16 96.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.15 1.9 . . . . 10.0 111.658 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.5 -30.73 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.066 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.436 ' HB3' ' H ' ' A' ' 72' ' ' THR . 58.1 tp60 -70.36 -38.53 74.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.326 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -94.32 7.44 45.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.605 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 52.59 50.99 16.99 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.203 0.525 . . . . 10.0 110.716 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.542 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.4 mtp -84.4 138.64 32.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.033 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -94.06 167.66 11.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.8 141.55 42.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.154 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 70.58 30.43 3.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.537 0.735 . . . . 10.0 112.499 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.78 178.4 8.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m -122.86 129.97 52.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.129 0.49 . . . . 10.0 112.318 -178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.2 mt -104.44 130.94 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.614 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.32 139.15 35.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.411 . . . . 10.0 111.88 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.8 t -129.39 124.17 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.104 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.39 164.18 20.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.72 -0.218 . . . . 10.0 110.59 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -90.82 149.02 22.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.91 0.386 . . . . 10.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -82.22 140.45 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.271 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.3 117.3 3.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.982 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.79 34.16 2.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.421 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 C-N-CA 120.962 -0.637 . . . . 10.0 111.798 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 120.753 0.311 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.42 128.22 54.41 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 120.969 0.414 . . . . 10.0 110.28 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.56 126.99 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.19 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 198' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.77 134.21 9.49 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.66 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.0 m -118.33 126.39 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.944 0.872 . . . . 10.0 110.489 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 18.4 mt -124.54 129.42 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.373 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.03 128.36 76.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.465 HD12 ' HD3' ' A' ' 42' ' ' LYS . 6.4 pt -122.23 130.29 74.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.473 ' HB2' HG23 ' A' ' 38' ' ' THR . 5.9 t70 -124.78 130.02 51.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.948 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.857 -179.561 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.938 0.399 . . . . 10.0 110.654 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -90.4 145.75 24.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.13 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 34' ' ' ILE . 16.5 tt -111.5 139.2 36.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.501 -0.926 . . . . 10.0 108.501 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -100.6 103.84 15.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.922 0.392 . . . . 10.0 110.948 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.8 mt -100.58 154.84 18.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.419 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -112.46 126.3 55.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.964 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -108.32 114.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.95 137.83 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.76 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.92 163.6 12.95 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.854 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.27 -6.86 42.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.075 0.464 . . . . 10.0 111.404 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.62 -5.4 25.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.13 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.6 14.8 49.0 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.848 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 p -85.03 151.34 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -129.9 119.65 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.181 0.515 . . . . 10.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.97 122.12 67.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.525 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.45 118.0 24.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.403 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -100.43 111.52 23.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.501 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.74 101.45 13.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.7 HD12 HD11 ' B' ' 202' ' ' ILE . 3.3 tt -134.55 152.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.954 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -79.16 148.71 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 36' ' ' ARG . 39.9 mtp85 -68.2 -7.13 27.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -108.0 -1.38 20.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.953 0.406 . . . . 10.0 111.029 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.42 HG23 ' HB2' ' B' ' 204' ' ' ASP . 99.3 m -85.98 127.76 60.78 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.883 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.667 ' HA ' HG22 ' A' ' 72' ' ' THR . 51.1 Cg_exo -55.46 137.37 77.4 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.038 2.492 . . . . 10.0 112.669 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -72.27 -4.27 28.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.676 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -33.49 71.14 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.844 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.867 ' HB2' HD12 ' B' ' 202' ' ' ILE . 16.1 mtpp -73.35 -35.34 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 10.0 109.576 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.41 -20.62 65.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 40.9 mtm -97.86 12.53 33.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.848 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -135.3 -38.34 0.76 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.96 -50.23 71.36 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -68.81 -34.05 74.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 10.0 110.078 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.617 ' SG ' HD11 ' A' ' 58' ' ' ILE . 37.3 m -62.68 -43.88 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -61.16 -43.35 99.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -68.12 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.153 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -79.25 -26.53 42.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 10.0 110.271 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.93 25.8 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.629 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.06 154.17 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 10.0 110.605 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 t -85.61 150.76 24.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.761 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.7 ttp -62.57 -18.05 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 10.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 56' ' ' ARG . 7.2 tpt180 -76.65 -22.08 54.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -86.85 -33.77 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.617 HD11 ' SG ' ' A' ' 48' ' ' CYS . 8.9 pt -108.27 169.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.857 0.36 . . . . 10.0 111.49 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.0 142.73 49.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.412 ' HB3' HD12 ' A' ' 67' ' ' ILE . 88.7 m-85 -112.94 135.32 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -136.11 145.78 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.23 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -141.19 127.03 19.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.599 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 61.26 23.11 13.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.239 0.542 . . . . 10.0 111.058 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.11 -2.74 81.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.86 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 41.4 mm-40 -110.17 139.89 21.86 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.774 -0.251 . . . . 10.0 110.768 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 11.7 Cg_exo -69.4 127.82 15.45 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.347 2.031 . . . . 10.0 110.903 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 60' ' ' PHE . 24.9 mt -73.04 133.63 31.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.111 0.481 . . . . 10.0 111.671 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.409 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 37.0 m-80 -90.98 167.13 12.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.877 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -84.65 -1.92 56.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.95 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -117.62 34.94 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.71 0.29 . . . . 10.0 111.779 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 12.1 m-20 -121.68 152.64 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.094 0.473 . . . . 10.0 111.943 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.667 HG22 ' HA ' ' A' ' 39' ' ' PRO . 28.9 p -126.54 164.42 34.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 42.8 Cg_exo -57.57 -36.55 98.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.979 1.786 . . . . 10.0 111.502 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.42 62.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.247 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.9 tp60 -63.0 -35.21 79.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 10.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.2 mt -96.23 6.12 49.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.351 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 54.2 44.48 29.06 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.308 0.575 . . . . 10.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.5 mtp -80.99 161.92 24.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.787 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.52 ' C ' HD11 ' A' ' 18' ' ' ILE . 51.5 mm-40 -133.52 -177.9 4.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.398 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.31 153.12 42.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.808 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 70.72 11.67 7.21 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.468 0.707 . . . . 10.0 112.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.98 146.4 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 131.99 54.78 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.6 0.593 . . . . 10.0 112.6 -178.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.2 mp -102.72 130.54 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.219 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.97 125.63 35.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.286 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.6 t -108.85 114.49 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.61 176.19 5.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.982 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -119.4 146.9 44.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.687 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -81.32 143.5 32.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.84 0.352 . . . . 10.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -63.98 138.56 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.76 -30.29 51.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.133 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.764 -0.731 . . . . 10.0 112.166 -179.805 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.91 121.66 39.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.027 -0.669 . . . . 10.0 111.411 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.33 124.55 38.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.722 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.43 130.75 7.62 Favored Glycine 0 C--O 1.22 -0.781 0 C-N-CA 120.667 -0.777 . . . . 10.0 112.478 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 73.8 m -121.14 123.44 42.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.131 0.965 . . . . 10.0 110.711 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 27.4 mt -126.53 129.15 71.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.721 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.31 127.26 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 122.228 -0.295 . . . . 10.0 110.257 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.867 HD12 ' HB2' ' A' ' 42' ' ' LYS . 3.2 pt -122.5 129.79 74.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.884 0.373 . . . . 10.0 110.755 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.42 ' HB2' HG23 ' A' ' 38' ' ' THR . 5.0 t70 -122.44 127.34 49.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.145 179.322 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.921 0.391 . . . . 10.0 110.684 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -95.13 125.2 39.62 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.42 HD11 ' C ' ' A' ' 79' ' ' GLU . 20.6 tt -101.0 143.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 21.0 m-80 -115.42 123.25 48.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.186 0.517 . . . . 10.0 111.253 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.2 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.413 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 83' ' ' THR . 96.8 mttt -125.49 122.7 37.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.095 0.474 . . . . 10.0 111.363 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 71.4 t -86.81 127.1 40.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.886 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.93 105.35 17.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.942 0.401 . . . . 10.0 111.149 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.89 143.68 25.62 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -65.35 -17.48 64.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.87 0.367 . . . . 10.0 111.664 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.2 -23.78 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.298 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.58 -24.32 5.84 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.419 -0.896 . . . . 10.0 112.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 p -60.15 152.09 25.31 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.739 0.304 . . . . 10.0 110.416 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.32 142.7 37.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 10.0 110.968 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 5.7 t -122.87 118.98 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.402 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.98 113.31 24.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.969 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 19' ' ' ASN . 1.2 m-85 -95.76 112.73 24.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.265 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -97.79 102.35 14.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -136.77 161.53 36.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.362 -178.814 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' ILE . 50.4 mttp -79.69 153.09 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.02 -14.19 59.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -104.89 10.54 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.892 0.377 . . . . 10.0 111.374 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.426 HG21 HG13 ' B' ' 202' ' ' ILE . 2.9 m -83.38 126.01 72.72 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.162 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.83 136.07 58.71 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.057 2.505 . . . . 10.0 112.381 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.85 -20.06 65.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.582 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -23.89 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.029 0.443 . . . . 10.0 110.714 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.634 ' HB3' HD12 ' B' ' 202' ' ' ILE . 9.7 mtpp -65.99 -44.09 85.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.588 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.547 ' H ' HD12 ' A' ' 43' ' ' LEU . 5.5 mp -64.42 -36.72 85.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 10.0 110.313 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 29.8 ttm -62.45 -30.7 71.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -96.54 -36.41 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.984 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.48 -56.67 18.27 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CE2' HG21 ' A' ' 30' ' ' VAL . 31.0 t80 -68.82 -28.86 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 10.0 110.516 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.466 ' SG ' HD12 ' A' ' 53' ' ' LEU . 50.0 t -65.12 -49.48 69.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.98 -30.41 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -68.57 -38.76 80.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.756 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -75.81 -29.8 58.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 10.0 110.205 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.31 37.81 6.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.067 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.466 HD12 ' SG ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.3 -175.92 3.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 10.0 110.736 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.5 t -85.39 139.83 31.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.577 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.3 ttp -67.58 -23.73 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.313 0.578 . . . . 10.0 110.823 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -86.53 -10.27 54.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.971 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -88.52 -2.44 58.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 10.0 110.608 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 pt -129.42 170.1 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.524 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -140.33 142.01 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.271 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 44' ' ' MET . 27.6 m-85 -112.15 134.7 53.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.884 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -128.71 144.61 51.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.128 0.49 . . . . 10.0 111.406 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -141.19 121.15 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.984 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.07 32.74 17.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.675 0.75 . . . . 10.0 109.798 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.97 63.07 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.885 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 57.4 mm-40 -107.39 135.72 19.65 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.702 -0.293 . . . . 10.0 110.384 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 26.1 Cg_exo -62.62 142.74 90.86 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.484 2.123 . . . . 10.0 111.768 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 60' ' ' PHE . 34.0 mt -89.95 131.68 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.77 0.319 . . . . 10.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -96.3 163.2 13.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.23 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.63 11.57 14.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.865 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 32.19 5.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.971 0.415 . . . . 10.0 111.403 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -125.46 166.07 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 10.0 111.285 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.78 161.64 62.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.241 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.16 -53.26 7.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.107 2.538 . . . . 10.0 112.752 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.94 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.587 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -78.55 -35.7 45.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.984 0.421 . . . . 10.0 110.248 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 mt -94.4 4.31 54.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.15 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 60.9 38.39 17.74 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.32 161.79 28.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' HD11 ' A' ' 18' ' ' ILE . 1.6 mm-40 -125.71 179.82 4.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.576 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.04 144.55 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.295 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 67.34 24.39 8.98 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.333 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 137.23 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 m -91.08 142.26 27.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.992 0.425 . . . . 10.0 111.784 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.6 mt -121.15 132.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.028 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 2.1 m-20 -90.02 132.92 35.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.1 t -123.35 122.74 65.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.2 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 85' ' ' ASP . 66.7 m-85 -126.44 167.35 15.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.021 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -104.07 149.03 25.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -74.08 146.73 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -69.66 154.19 42.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.756 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -99.15 -43.44 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.148 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 121.77 40.52 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.121 -0.631 . . . . 10.0 111.062 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.86 126.84 43.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.461 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.66 129.02 7.52 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.323 -0.942 . . . . 10.0 111.61 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 23.6 m -121.48 125.27 46.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.546 0.673 . . . . 10.0 110.525 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 8.8 mt -126.99 129.14 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.823 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -121.49 125.92 74.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.092 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 42' ' ' LYS . 4.3 pt -122.95 131.18 73.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 10.0 111.062 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -121.6 128.73 52.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.577 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--O 1.235 0.319 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.221 179.582 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 110.06 -0.348 . . . . 10.0 110.06 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -86.33 134.06 33.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.77 0.319 . . . . 10.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 34' ' ' ILE . 18.9 tt -100.93 141.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.786 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -99.12 105.45 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.007 0.432 . . . . 10.0 111.316 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.23 128.52 54.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.807 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -100.2 117.09 33.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.459 . . . . 10.0 111.174 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.17 136.14 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.87 121.88 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.801 0.334 . . . . 10.0 111.16 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.95 -139.21 5.12 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.888 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -112.5 9.45 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.845 0.355 . . . . 10.0 110.954 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.35 -63.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.128 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.07 -7.98 0.49 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.02 98.63 2.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.76 0.314 . . . . 10.0 110.327 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.9 132.13 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.268 0.556 . . . . 10.0 111.195 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.414 HG21 ' CE2' ' A' ' 47' ' ' TYR . 86.5 t -120.34 122.31 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.288 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -92.3 116.06 28.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.7 m-85 -95.62 123.14 39.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.767 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -102.88 98.94 8.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.11 157.52 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.72 -178.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 34' ' ' ILE . 30.6 mttt -79.49 161.82 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -70.96 -15.21 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.791 0.293 . . . . 10.0 111.791 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -98.15 -4.68 35.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.042 0.448 . . . . 10.0 110.309 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.441 HG21 HG13 ' B' ' 202' ' ' ILE . 35.7 m -80.88 122.98 82.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.234 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.9 138.53 82.25 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.123 2.549 . . . . 10.0 112.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.97 -7.84 54.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.95 83.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.784 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -68.08 -28.94 67.79 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.315 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -64.63 -41.14 96.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.041 0.448 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 78.6 mtm -72.82 -38.25 67.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.657 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' SD ' ' A' ' 55' ' ' MET . 10.7 mtmt -72.07 -45.63 59.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.901 -0.59 . . . . 10.0 112.092 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.0 -54.73 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.141 0.423 . . . . 10.0 112.141 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 11.1 t80 -63.31 -40.16 96.58 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.678 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.0 t -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -36.6 84.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.024 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD2' HD11 ' B' ' 200' ' ' ILE . 6.0 ttt-85 -66.72 -30.73 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.638 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.0 mm100 -83.74 -19.8 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.339 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.19 42.82 18.15 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.3 mt -132.42 177.39 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -95.51 140.56 30.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.452 ' SD ' ' HG3' ' A' ' 45' ' ' LYS . 31.9 ttp -66.81 -14.44 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 10.0 110.473 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -85.51 -17.32 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.878 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -83.83 -24.16 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.9 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 pt -113.96 174.07 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.944 0.402 . . . . 10.0 111.546 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -138.9 149.76 45.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.834 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.457 ' HB3' HD12 ' A' ' 67' ' ' ILE . 87.4 m-85 -125.43 139.15 53.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -134.75 150.53 50.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 10.0 111.958 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.2 t80 -140.83 125.99 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.161 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 62.22 21.17 12.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.48 0.657 . . . . 10.0 110.563 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.01 0.03 81.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -112.72 145.49 33.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.687 0.244 . . . . 10.0 110.605 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.14 136.24 43.47 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.432 2.088 . . . . 10.0 111.657 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 60' ' ' PHE . 65.0 mt -82.04 137.84 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.227 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -90.08 159.38 16.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.517 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.18 3.26 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.633 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.45 29.32 5.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.206 0.527 . . . . 10.0 110.478 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.0 159.32 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.396 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.7 OUTLIER -134.18 160.28 69.11 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.624 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.08 -40.73 81.39 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.246 1.964 . . . . 10.0 112.153 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.24 -3.55 43.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.469 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.403 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 37.9 tp60 -99.8 -28.21 13.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 10.0 110.333 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt -101.29 11.68 38.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 55.33 46.98 22.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.216 0.531 . . . . 10.0 110.77 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 80.9 mtp -90.41 141.91 28.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.264 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -120.1 -179.4 3.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.78 154.95 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 62.78 30.11 16.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.664 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 172.79 12.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.381 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 m -133.4 132.69 41.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.177 0.513 . . . . 10.0 111.604 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.1 mt -109.86 130.16 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.755 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.89 144.14 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.601 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.2 t -127.32 128.11 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.307 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -124.39 170.0 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.576 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -113.74 142.39 46.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.212 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -76.21 140.51 41.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.482 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -57.93 147.1 29.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.403 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.25 -30.3 21.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.325 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.213 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.897 -0.408 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.2 p -119.32 123.03 43.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.995 -0.682 . . . . 10.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.7 129.0 48.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.301 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.47 127.92 7.11 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 110.778 -0.929 . . . . 10.0 110.778 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 14.2 m -121.1 123.82 43.26 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.29 -0.564 . . . . 10.0 110.52 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.467 HD11 ' HD2' ' A' ' 50' ' ' ARG . 19.1 mt -126.07 131.19 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.686 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.02 127.93 75.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.478 HD12 ' HD3' ' A' ' 42' ' ' LYS . 7.9 pt -121.9 130.7 74.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -121.38 128.63 52.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.758 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.475 179.507 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.233 0.212 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -111.07 131.77 54.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.885 0.374 . . . . 10.0 110.871 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 tt -109.55 142.32 22.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -107.89 137.8 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 10.0 111.394 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 mt -121.82 164.87 16.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.955 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' THR . 82.6 mttt -122.61 136.56 54.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.047 0.451 . . . . 10.0 111.129 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.2 t -100.81 123.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.832 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 83' ' ' THR . . . -93.23 104.97 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.021 0.438 . . . . 10.0 111.614 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.89 157.79 27.63 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.449 -1.06 . . . . 10.0 110.449 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -87.76 -6.1 58.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.128 0.464 . . . . 10.0 110.849 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -99.74 -8.41 24.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.86 -10.12 40.71 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.149 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -77.49 136.08 38.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.197 0.498 . . . . 10.0 110.203 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.33 131.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.348 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.0 t -115.62 125.4 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.1 0.476 . . . . 10.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -80.96 113.65 19.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.431 -0.951 . . . . 10.0 108.431 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.03 106.98 19.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.653 -178.518 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -93.16 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.47 166.34 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.611 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' HG13 ' A' ' 34' ' ' ILE . 17.3 mttt -92.39 156.31 17.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -64.7 -23.92 67.41 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -90.86 -8.54 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 10.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.582 HG21 HG13 ' B' ' 202' ' ' ILE . 47.7 m -76.52 119.6 78.05 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.165 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.593 ' HA ' HG22 ' A' ' 72' ' ' THR . 37.2 Cg_exo -56.59 145.28 81.83 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.833 2.355 . . . . 10.0 113.02 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.5 -7.35 49.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -31.34 70.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.383 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.651 ' HB2' HD12 ' B' ' 202' ' ' ILE . 24.2 mtpt -70.46 -30.82 67.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.351 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.8 tt -65.55 -38.43 89.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.285 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -83.21 3.35 31.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.32 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -116.56 -53.57 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.36 -47.02 82.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.918 0.39 . . . . 10.0 111.428 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -71.92 -28.55 63.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.966 0.412 . . . . 10.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 58' ' ' ILE . 5.3 t -69.42 -43.87 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.334 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.77 -36.46 83.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.524 ' HD2' HD11 ' B' ' 200' ' ' ILE . 31.7 mtt180 -62.97 -40.5 97.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.12 -14.78 58.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.948 0.404 . . . . 10.0 110.696 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.74 62.53 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.011 -0.614 . . . . 10.0 111.945 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.41 167.51 12.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.573 0.225 . . . . 10.0 110.415 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 t -91.48 140.88 29.33 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.2 ttp -61.86 -22.61 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.162 0.506 . . . . 10.0 110.625 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.4 ttt85 -78.84 -11.38 59.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.963 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -94.25 -36.86 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.934 0.397 . . . . 10.0 111.044 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.429 HD11 ' SG ' ' A' ' 48' ' ' CYS . 11.3 pt -97.32 166.85 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.467 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -136.09 142.9 44.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.845 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -117.46 135.51 53.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 10.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -127.17 143.94 51.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.442 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 92.1 t80 -145.97 130.36 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.719 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.24 26.0 15.57 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.425 0.631 . . . . 10.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.91 73.95 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.962 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -111.38 153.47 44.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.822 0.311 . . . . 10.0 110.337 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.13 143.83 32.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.744 2.296 . . . . 10.0 111.669 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.0 mt -88.44 130.89 37.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.765 0.317 . . . . 10.0 110.993 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -94.27 171.9 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.2 11.08 12.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.054 0.455 . . . . 10.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -125.55 28.04 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.237 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -118.79 146.34 44.89 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.42 0.629 . . . . 10.0 112.333 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 39' ' ' PRO . 10.4 p -122.47 161.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.867 -1.06 . . . . 10.0 109.088 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.518 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 40.2 Cg_exo -57.66 -38.9 91.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.419 2.079 . . . . 10.0 111.71 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.68 84.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -62.32 -39.02 91.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.489 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.41 8.84 43.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.804 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 49.25 51.54 16.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.764 0.665 . . . . 10.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 85.0 mtp -76.56 146.22 38.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.216 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 10.6 mm-40 -121.54 176.49 5.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.268 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 3.8 t70 -72.17 158.5 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.898 -0.779 . . . . 10.0 108.898 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.2 mm-40 70.49 5.38 5.35 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.338 0.399 . . . . 10.0 111.54 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.3 t0 -77.44 145.11 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 4.3 m -120.21 135.31 55.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.2 mt -107.3 133.33 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.294 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -88.22 135.89 33.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.258 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.86 121.95 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.808 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.3 179.29 4.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.219 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.426 ' HG2' HG22 ' A' ' 58' ' ' ILE . 34.8 mt-30 -129.42 143.23 50.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -68.92 141.96 54.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.364 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -57.39 142.93 42.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.707 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -47.25 77.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.998 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--O 1.236 0.367 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.04 116.75 27.51 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.385 -0.926 . . . . 10.0 110.532 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.1 128.59 40.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.778 -1.101 . . . . 10.0 109.143 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.53 129.76 7.85 Favored Glycine 0 N--CA 1.436 -1.303 0 C-N-CA 119.706 -1.235 . . . . 10.0 110.829 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 74.1 m -122.69 122.89 39.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.869 0.834 . . . . 10.0 110.631 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.524 HD11 ' HD2' ' A' ' 50' ' ' ARG . 43.6 mt -127.34 128.81 70.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.989 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.2 p -122.67 128.27 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -121.01 130.33 74.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.57 127.89 53.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.068 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--O 1.236 0.387 0 O-C-N 123.29 0.369 . . . . 10.0 111.149 179.304 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.807 0.337 . . . . 10.0 110.586 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 5.3 m80 -98.89 133.55 43.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.4 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.7 tt -103.51 130.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.21 113.89 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.046 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.02 145.87 27.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.053 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -105.9 117.25 33.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.729 0.299 . . . . 10.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 42.1 t -95.0 122.98 46.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.732 -0.84 . . . . 10.0 108.732 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.1 115.3 29.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 10.0 112.068 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.92 165.97 33.56 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.793 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -79.11 -9.82 59.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.071 0.462 . . . . 10.0 110.806 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -91.84 -7.87 48.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.78 4.65 56.86 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.83 -0.7 . . . . 10.0 113.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 p -73.86 145.37 44.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.746 0.308 . . . . 10.0 110.645 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.93 112.8 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.305 0.574 . . . . 10.0 109.759 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 40.7 t -111.69 124.83 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.7 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -95.47 112.44 24.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.788 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' B' ' 200' ' ' ILE . 2.8 m-85 -97.28 109.22 22.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.948 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -93.38 102.12 14.36 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.51 168.8 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.102 -178.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 26.9 mttt -93.03 154.58 18.04 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -63.41 -24.99 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.631 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -93.66 -2.49 53.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.044 0.45 . . . . 10.0 110.861 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.674 HG23 ' HB2' ' B' ' 204' ' ' ASP . 92.4 m -83.19 119.92 74.95 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.129 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.579 ' HA ' HG22 ' A' ' 72' ' ' THR . 53.0 Cg_exo -55.3 139.93 81.51 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.911 2.407 . . . . 10.0 112.366 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.5 -0.09 14.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.437 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -39.03 93.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.422 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.746 ' HB2' HD12 ' B' ' 202' ' ' ILE . 0.1 OUTLIER -70.85 -30.56 67.0 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.346 179.639 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 32' ' ' PHE . 3.4 tt -60.41 -45.74 92.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.829 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.5 mtm -68.75 -44.92 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.738 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.354 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.49 81.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 10.0 111.577 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -70.84 -38.23 73.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.062 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 p -67.05 -35.05 79.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.788 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -69.49 -38.73 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.709 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -67.6 -34.9 77.93 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.808 0.337 . . . . 10.0 110.614 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.7 -30.63 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.191 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.04 33.45 10.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -127.57 153.79 45.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.58 0.228 . . . . 10.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.2 t -68.56 147.41 52.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.245 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.4 ttp -65.5 -18.78 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.112 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -81.79 -16.35 51.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 10.0 110.766 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.14 -30.14 26.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 10.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 pt -93.02 153.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.09 113.22 15.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.052 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 67' ' ' ILE . 6.8 m-85 -94.8 133.19 38.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.928 0.394 . . . . 10.0 111.214 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.04 148.63 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 23.1 t80 -144.37 125.56 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.115 178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 62.0 29.96 17.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.496 0.665 . . . . 10.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.45 -13.62 45.42 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.507 -0.769 . . . . 10.0 113.004 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.9 mm-40 -101.92 138.53 19.82 Favored Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 122.749 -0.265 . . . . 10.0 110.74 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 37.7 Cg_exo -61.32 144.32 98.47 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.553 2.169 . . . . 10.0 111.464 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 60' ' ' PHE . 23.4 mt -84.64 139.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.06 0.457 . . . . 10.0 110.853 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.74 176.93 8.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.211 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -99.85 0.83 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.407 . . . . 10.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.66 50.14 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.678 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.54 150.93 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 10.0 111.488 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 39' ' ' PRO . 14.6 p -122.87 160.5 48.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.619 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.88 -31.04 93.23 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.221 1.947 . . . . 10.0 111.44 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.85 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.082 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -75.23 -29.18 60.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 10.0 111.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.01 -1.93 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.743 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 57.66 51.95 8.85 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.779 0.674 . . . . 10.0 110.996 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.8 mtp -94.01 152.53 18.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -119.47 176.06 5.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.52 153.57 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.484 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 66.72 30.95 7.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.037 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -85.84 156.23 20.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.0 m -113.85 124.17 51.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.398 0.618 . . . . 10.0 112.117 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -105.3 132.58 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.558 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.96 137.38 35.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.806 0.336 . . . . 10.0 111.347 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -124.44 113.78 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.619 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -113.22 -172.79 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -129.92 145.51 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 10.0 110.712 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -68.22 136.36 53.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.68 133.9 55.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.104 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -21.53 43.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.646 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.261 -179.877 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.31 124.21 47.25 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.477 0.656 . . . . 10.0 111.594 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.05 128.11 48.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.192 -0.913 . . . . 10.0 109.766 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.75 131.59 8.58 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 2.7 m -119.34 124.43 46.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.91 0.855 . . . . 10.0 109.619 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.547 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 3.3 mt -125.07 130.72 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.8 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.97 127.7 75.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 176.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 42' ' ' LYS . 8.7 pt -123.33 135.69 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 10.0 110.956 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.674 ' HB2' HG23 ' A' ' 38' ' ' THR . 4.4 t70 -123.72 127.37 48.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.525 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.459 179.591 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.591 0.234 . . . . 10.0 110.645 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -125.58 130.07 50.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.277 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 tt -102.12 131.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.32 117.69 34.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.853 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.73 155.42 24.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.265 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -110.16 154.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.891 0.377 . . . . 10.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -113.46 115.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.701 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 85' ' ' ASP . . . -84.68 99.25 10.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.951 0.405 . . . . 10.0 110.729 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.4 166.17 39.78 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.62 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -94.63 -5.22 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.078 0.466 . . . . 10.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.73 -35.27 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.47 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.49 -28.13 2.79 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.457 -0.877 . . . . 10.0 112.724 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.6 p -62.43 145.05 55.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.091 0.472 . . . . 10.0 110.795 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.1 p -131.25 136.17 58.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.78 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 16.1 t -116.85 118.16 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.189 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -73.8 112.61 10.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -88.56 102.49 14.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.62 -178.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -92.1 100.16 12.84 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -133.8 167.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.804 -179.151 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -93.41 153.62 18.4 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.143 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 10.7 ttt85 -63.92 -17.83 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.861 0.362 . . . . 10.0 111.261 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -103.57 10.53 36.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 10.0 111.079 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 88.7 m -95.0 128.39 39.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.165 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.25 139.72 72.58 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.987 2.458 . . . . 10.0 112.834 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD11 ' SD ' ' A' ' 78' ' ' MET . 31.5 mt -76.05 -10.79 59.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.992 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 p -60.29 -33.89 72.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.042 0.448 . . . . 10.0 110.083 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.864 ' HB2' HD12 ' B' ' 202' ' ' ILE . 21.3 mtpp -64.39 -34.8 79.02 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.158 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -56.72 -44.58 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.028 -179.144 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 72.2 mtm -71.87 -49.53 37.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.103 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -63.48 -52.85 59.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.91 90.8 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -72.67 -37.95 67.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.254 -0.179 . . . . 10.0 111.044 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.8 t -62.69 -34.28 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 10.0 110.525 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -65.21 -33.77 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.791 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -71.04 -33.41 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 10.0 109.965 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -78.8 -28.82 44.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.439 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.71 36.99 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -121.18 169.68 10.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.676 0.274 . . . . 10.0 110.278 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.9 t -82.56 144.28 30.47 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.98 -20.12 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 10.0 110.602 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -87.56 -7.99 56.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -86.01 -24.31 26.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.364 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 pt -119.45 172.2 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 10.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -138.97 145.97 40.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -113.67 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -126.92 142.85 51.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.71 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.487 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 40.5 t80 -133.76 118.85 18.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.19 13.41 8.72 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.612 0.72 . . . . 10.0 110.453 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.84 -10.89 60.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.812 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 37.9 mm-40 -96.71 138.67 21.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 13.0 Cg_exo -69.75 131.69 21.78 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.276 1.984 . . . . 10.0 111.62 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 62' ' ' PHE . 12.2 mt -84.97 140.18 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.347 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -103.79 167.7 9.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.783 0.325 . . . . 10.0 110.227 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -74.36 -5.31 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.882 0.372 . . . . 10.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.83 22.23 16.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.584 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.27 151.34 23.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 111.29 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.446 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -137.69 162.8 52.55 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.687 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 54.2 Cg_exo -53.31 -46.03 36.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.682 2.255 . . . . 10.0 112.662 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -20.94 58.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 10.0 111.214 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.446 ' HB3' ' H ' ' A' ' 72' ' ' THR . 40.2 tp60 -71.71 -33.1 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.238 0.542 . . . . 10.0 110.221 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.6 mt -102.96 4.01 36.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.661 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 56.07 41.31 29.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.8 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.523 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 55.5 mtp -75.54 145.27 41.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.76 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -120.76 -177.05 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.577 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 5.2 t70 -75.62 159.64 30.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.7 mm-40 73.09 3.15 4.59 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.458 0.474 . . . . 10.0 111.243 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.47 151.48 34.65 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -126.43 136.45 52.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.41 . . . . 10.0 111.874 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.85 134.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 8.1 m-20 -91.01 137.52 32.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 10.0 111.268 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.03 125.74 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -126.43 160.48 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.857 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.41 149.47 23.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -84.66 133.15 34.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.9 0.381 . . . . 10.0 110.109 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -61.68 143.05 56.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.554 -0.748 . . . . 10.0 111.546 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.57 -19.07 20.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.034 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.371 -179.72 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -118.88 126.14 51.12 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.402 -0.519 . . . . 10.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.84 129.67 52.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 198' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.63 133.47 9.48 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.26 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.6 m -117.24 124.04 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.535 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 7.4 tt -126.11 129.65 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.949 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.3 p -123.05 128.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 121.727 -0.608 . . . . 10.0 111.399 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.864 HD12 ' HB2' ' A' ' 42' ' ' LYS . 4.0 pt -122.79 128.68 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -120.28 127.09 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 10.0 110.84 179.344 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--O 1.235 0.302 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 3.7 m80 -89.69 121.65 32.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.391 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.2 tt -98.02 127.29 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.864 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -90.28 104.28 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.106 0.479 . . . . 10.0 111.133 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.07 156.07 17.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.637 -0.711 . . . . 10.0 109.364 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -122.59 138.7 54.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 10.0 112.029 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.31 118.59 57.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.471 -0.786 . . . . 10.0 108.938 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.67 113.75 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.94 0.4 . . . . 10.0 111.062 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.57 168.89 30.99 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.867 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -70.49 -19.38 62.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.108 0.48 . . . . 10.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.59 -28.33 56.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.239 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.69 -13.46 32.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.647 -0.787 . . . . 10.0 111.519 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.57 121.46 16.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.72 134.26 38.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 10.0 110.838 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.44 124.48 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.99 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -87.5 115.82 25.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CZ ' HD13 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -93.28 111.02 22.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.945 -179.026 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 34.2 tttt -97.15 102.96 14.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -135.86 164.39 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.336 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 34' ' ' ILE . 12.0 mttp -86.5 153.52 21.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -69.46 -5.45 23.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.511 0.559 . . . . 10.0 112.511 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -118.42 14.01 13.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.439 0.637 . . . . 10.0 110.119 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.429 HG23 ' HB2' ' B' ' 204' ' ' ASP . 21.5 m -95.66 125.04 50.78 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 144.63 56.18 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.898 2.398 . . . . 10.0 112.767 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.05 -1.6 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.74 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -39.45 91.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 10.0 110.333 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.824 ' HB2' HD12 ' B' ' 202' ' ' ILE . 0.3 OUTLIER -69.3 -32.69 71.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.215 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 1.5 tt -62.84 -35.81 81.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.996 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 69.2 mtm -81.51 -30.0 33.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.796 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -90.04 -40.56 12.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' B' ' 200' ' ' ILE . . . -57.16 -50.39 72.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.19 -32.11 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 10.0 110.368 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 44' ' ' MET . 19.4 t -64.73 -44.39 90.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.33 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -65.34 -35.96 82.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.974 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -61.55 -37.83 85.23 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.12 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -79.75 -20.33 46.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.56 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.48 33.16 35.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.217 -0.516 . . . . 10.0 112.647 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.9 mt -122.51 173.9 7.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.688 0.28 . . . . 10.0 110.568 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -89.95 143.02 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.191 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.9 ttp -65.98 -19.62 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.926 0.393 . . . . 10.0 110.44 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -82.84 -10.83 58.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -89.59 -27.1 20.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 10.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.0 pt -112.17 169.09 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.13 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -140.33 143.06 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.877 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -117.6 133.72 55.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -129.6 138.61 51.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.985 0.421 . . . . 10.0 111.522 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 80.1 t80 -131.04 129.15 41.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.839 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.2 23.03 13.57 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.54 0.686 . . . . 10.0 109.963 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.38 1.86 90.27 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.388 -0.823 . . . . 10.0 112.832 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -108.76 141.05 22.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.65 0.225 . . . . 10.0 110.753 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.59 131.14 23.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.702 2.268 . . . . 10.0 111.859 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -84.49 140.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -102.97 -177.88 3.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.439 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.18 12.56 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.83 0.348 . . . . 10.0 111.324 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 p -131.7 37.16 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.992 0.425 . . . . 10.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.07 153.06 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.14 0.495 . . . . 10.0 111.445 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.507 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -128.2 163.0 46.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.54 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 53.1 Cg_exo -55.48 -46.52 31.67 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.519 2.146 . . . . 10.0 112.076 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.79 75.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.755 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.507 ' HB3' ' H ' ' A' ' 72' ' ' THR . 43.0 tp60 -64.2 -38.43 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.22 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.1 mt -93.97 6.4 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 58.22 43.22 20.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.062 0.458 . . . . 10.0 110.592 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 74.3 mtp -85.62 142.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.788 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -121.73 177.79 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.168 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 10.5 t70 -68.06 146.81 53.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.254 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.5 mm-40 78.26 3.07 2.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.534 0.734 . . . . 10.0 112.2 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.35 142.75 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.313 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -113.53 142.96 45.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.034 0.445 . . . . 10.0 111.703 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.4 mt -115.51 133.98 60.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.754 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -86.79 142.49 28.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 10.0 111.109 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.6 t -112.8 120.7 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.386 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -119.18 169.55 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.372 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -120.2 159.74 24.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.016 -0.365 . . . . 10.0 110.016 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -85.26 145.16 27.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.758 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -67.58 141.37 56.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.849 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -44.24 46.19 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 10.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.424 179.642 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 p -117.58 122.72 44.4 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.909 0.862 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.85 127.87 46.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.692 -1.14 . . . . 10.0 109.093 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.03 130.39 8.21 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 111.044 -0.823 . . . . 10.0 111.044 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.0 m -118.18 122.78 43.89 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.479 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 13.4 tt -125.6 128.72 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.818 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.4 128.34 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 121.79 -0.569 . . . . 10.0 111.868 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.824 HD12 ' HB2' ' A' ' 42' ' ' LYS . 12.9 pt -123.83 129.09 74.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 177.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' ' 38' ' ' THR . 4.7 t70 -121.5 126.78 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--O 1.237 0.44 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.329 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.235 0.34 0 CA-C-O 120.713 0.292 . . . . 10.0 110.223 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -91.23 138.22 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.151 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.1 tt -108.48 128.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.18 101.99 14.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.977 0.417 . . . . 10.0 110.711 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.1 mt -94.6 155.54 16.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.46 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -118.05 126.66 52.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.125 0.488 . . . . 10.0 111.692 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 93.7 t -91.63 131.56 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.706 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.24 103.31 12.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 143.72 20.23 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.438 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.58 -17.18 62.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 10.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.89 -0.14 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.758 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.47 35.27 7.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.845 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -107.21 139.99 40.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.37 125.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.204 0.526 . . . . 10.0 110.308 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 38.6 t -122.05 124.35 71.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -87.15 110.44 20.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.221 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.6 113.01 24.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.034 0.445 . . . . 10.0 110.675 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' O ' HG23 ' B' ' 201' ' ' VAL . 71.1 tttt -101.94 101.6 12.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.414 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.39 167.69 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 34' ' ' ILE . 37.5 mttt -88.94 158.31 18.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.861 0.363 . . . . 10.0 110.393 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -69.12 -21.89 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.527 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -90.27 -8.44 50.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.258 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.454 HG23 ' HB2' ' B' ' 204' ' ' ASP . 91.4 m -79.43 124.15 84.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.405 -0.816 . . . . 10.0 111.779 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.09 143.24 99.87 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.847 2.365 . . . . 10.0 112.228 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.7 mt -76.58 -6.72 53.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.71 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -61.05 -46.35 91.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -28.94 69.15 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 10.0 tt -68.11 -52.22 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.04 -43.42 86.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.179 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -73.76 -38.89 64.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.002 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.91 71.37 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.871 0.367 . . . . 10.0 111.646 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -63.8 -37.44 87.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.0 t -67.93 -42.34 81.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.62 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.68 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.466 . . . . 10.0 109.94 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -70.02 -33.17 71.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.481 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.96 -30.96 50.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.322 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.42 44.7 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.076 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -143.52 -173.16 3.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.9 t -100.7 144.11 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.303 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 ttp -65.78 -21.2 66.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.101 0.477 . . . . 10.0 110.717 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 56' ' ' ARG . 21.5 ttt180 -77.78 -12.67 60.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.16 0.505 . . . . 10.0 110.458 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -87.33 -8.15 57.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.426 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.5 pt -134.0 171.34 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.368 . . . . 10.0 111.137 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -136.51 133.92 37.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HB3' HD12 ' A' ' 67' ' ' ILE . 79.1 m-85 -104.27 133.74 48.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.848 0.356 . . . . 10.0 110.089 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.66 142.58 51.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.724 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 81.7 t80 -136.54 120.46 17.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.427 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.19 14.91 9.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.485 0.66 . . . . 10.0 110.859 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -0.64 59.42 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.258 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -115.58 148.55 41.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.487 0.184 . . . . 10.0 110.864 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.73 153.7 68.75 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.591 2.194 . . . . 10.0 112.242 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 60' ' ' PHE . 37.9 mt -104.32 135.53 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.922 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -94.84 158.86 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.47 25.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.731 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.39 18.9 2.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.38 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -100.46 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.262 0.553 . . . . 10.0 111.618 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -130.41 159.74 69.23 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 10.0 109.165 178.739 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.52 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 50.8 Cg_exo -55.22 -44.8 45.66 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.413 2.076 . . . . 10.0 112.016 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.33 -32.8 73.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.498 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 24.6 tp60 -68.38 -33.43 74.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.678 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.29 6.05 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.64 -0.254 . . . . 10.0 111.428 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 61.45 36.64 17.13 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.509 0.506 . . . . 10.0 110.741 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.3 mtp -77.47 142.15 39.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.179 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 6.1 mm-40 -122.68 175.61 6.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.799 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 9.1 t70 -61.72 137.18 58.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.363 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 6.6 mm-40 75.83 15.24 2.57 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 124.026 0.829 . . . . 10.0 111.952 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -68.39 140.49 55.84 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -104.35 129.72 52.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.05 127.48 69.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.201 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -94.02 135.17 35.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 10.0 111.221 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 128.85 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.981 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.82 158.82 29.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.576 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -92.6 151.74 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.058 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -82.77 145.32 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -66.74 139.02 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 10.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.57 -37.42 27.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.677 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.194 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.368 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 121.06 39.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 119.728 -0.789 . . . . 10.0 111.176 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.5 125.21 42.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.638 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 198' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.37 132.5 8.56 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.037 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 18.5 m -119.16 123.39 44.27 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 117.95 0.875 . . . . 10.0 109.681 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 29.9 mt -126.33 130.81 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.731 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 33' ' ' LYS . 3.3 p -121.74 130.12 74.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.433 HG13 HG21 ' A' ' 38' ' ' THR . 8.6 pt -119.9 133.44 66.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.454 ' HB2' HG23 ' A' ' 38' ' ' THR . 22.5 t70 -122.27 129.35 52.13 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.971 -0.751 . . . . 10.0 108.971 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.633 -179.339 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -93.14 168.7 10.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.606 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 34' ' ' ILE . 18.0 tt -125.95 141.15 46.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -107.55 104.81 14.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.22 0.533 . . . . 10.0 111.27 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.406 HD22 ' HE1' ' A' ' 78' ' ' MET . 38.9 mt -99.83 166.49 11.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.316 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 83' ' ' THR . 95.8 mttt -136.57 137.52 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.318 0.58 . . . . 10.0 111.993 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 48.6 t -114.16 129.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.66 116.91 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.581 -0.282 . . . . 10.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.54 165.61 52.9 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.865 -0.684 . . . . 10.0 111.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.83 -11.31 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 10.0 111.318 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.14 -14.09 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.67 -8.15 29.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.652 -0.785 . . . . 10.0 113.325 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.7 p -63.25 141.84 58.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.18 126.2 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.239 0.542 . . . . 10.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 61.8 t -112.18 122.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.637 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -88.94 118.01 28.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.332 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.25 106.33 17.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.937 0.399 . . . . 10.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -98.72 98.27 9.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -134.57 174.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.866 -178.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 34' ' ' ILE . 28.0 mttt -95.0 159.54 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -65.79 -23.25 66.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.495 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -94.69 -1.02 53.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 111.346 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.595 HG21 HG13 ' B' ' 202' ' ' ILE . 55.5 m -78.56 122.68 85.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.06 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.89 136.03 65.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.829 2.353 . . . . 10.0 112.459 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.49 -9.63 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -62.67 -35.78 80.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.389 . . . . 10.0 110.331 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.856 ' HB2' HD12 ' B' ' 202' ' ' ILE . 1.8 mtpp -69.2 -30.32 68.48 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.208 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.89 -49.52 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.9 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 56.4 mtm -62.49 -43.9 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.49 -43.68 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.77 71.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.818 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.84 -34.11 64.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.82 0.343 . . . . 10.0 110.79 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' SG ' HD11 ' A' ' 58' ' ' ILE . 2.3 t -67.2 -39.96 86.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.67 -32.95 74.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.511 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 66.3 mtt180 -69.46 -26.17 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.674 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -92.08 -14.67 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.283 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.94 38.36 84.66 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.488 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.1 mt -129.26 165.59 21.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 10.0 110.666 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -74.47 139.6 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 10.0 110.408 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.2 ttp -68.26 -23.65 64.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -74.98 -12.45 60.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.17 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -86.48 -13.24 46.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.105 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.455 HD11 ' SG ' ' A' ' 48' ' ' CYS . 1.6 pt -120.51 171.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 10.0 111.701 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -138.43 128.01 24.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.871 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' A' ' 67' ' ' ILE . 17.8 m-85 -102.16 130.29 48.75 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -127.02 136.08 51.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.245 0.545 . . . . 10.0 111.134 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -132.03 128.37 38.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.068 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.67 22.02 12.95 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.758 0.79 . . . . 10.0 109.795 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.66 -2.34 87.27 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.96 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -111.22 141.43 24.33 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.927 0.363 . . . . 10.0 110.831 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.72 138.73 71.03 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.47 2.113 . . . . 10.0 111.281 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 60' ' ' PHE . 10.1 mt -88.94 139.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.8 0.333 . . . . 10.0 110.87 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.9 162.1 13.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.883 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.32 5.27 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.191 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 11.0 13.97 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -106.75 163.81 12.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 10.0 111.881 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.96 163.68 48.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.504 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.53 -42.62 63.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.334 2.023 . . . . 10.0 111.653 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.71 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.86 -37.82 87.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 10.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.81 0.84 56.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.63 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 56.64 47.65 18.0 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.556 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.406 ' HE1' HD22 ' A' ' 20' ' ' LEU . 93.0 mtp -78.56 159.78 27.96 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.267 -0.879 . . . . 10.0 111.38 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.44 -179.97 5.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.892 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.91 155.86 37.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.65 20.32 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.556 0.535 . . . . 10.0 111.027 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.15 121.45 25.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.342 -0.39 . . . . 10.0 109.952 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -91.26 133.3 35.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.923 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.66 131.68 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.409 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -93.92 137.38 33.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.064 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.8 120.31 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -115.14 158.75 21.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.597 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -96.6 141.86 29.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.672 0.273 . . . . 10.0 110.654 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -72.69 143.67 48.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -58.44 144.77 40.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.15 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -132.16 78.5 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.515 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.325 -179.543 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.84 122.75 42.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.187 -0.605 . . . . 10.0 110.373 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.14 129.51 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 198' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.7 129.48 7.88 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.401 -1.08 . . . . 10.0 110.401 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 55.2 m -122.04 124.43 43.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.206 1.003 . . . . 10.0 110.826 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.463 HG12 ' CZ ' ' A' ' 50' ' ' ARG . 31.0 mt -125.08 129.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.246 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -121.69 126.59 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.856 HD12 ' HB2' ' A' ' 42' ' ' LYS . 5.5 pt -123.68 132.33 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 120.986 0.422 . . . . 10.0 110.181 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -118.26 125.1 49.44 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.734 -179.564 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 C--O 1.232 0.16 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -79.4 127.21 31.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.543 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.2 tt -95.5 138.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -95.39 111.0 22.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.025 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.44 153.36 23.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.116 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -116.87 133.34 56.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.928 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 35.9 t -101.12 124.25 54.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.446 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.98 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.907 0.384 . . . . 10.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.8 156.73 23.21 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.787 -0.721 . . . . 10.0 111.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -72.8 -32.91 65.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.607 0.241 . . . . 10.0 111.187 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.36 -15.46 37.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.354 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.88 -10.29 15.72 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.37 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 p -56.87 129.98 43.81 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.026 0.413 . . . . 10.0 110.723 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.43 124.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.531 0.682 . . . . 10.0 110.719 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 99.2 t -120.61 127.76 75.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.83 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -93.52 124.86 37.8 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.02 122.42 45.2 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.127 0.489 . . . . 10.0 111.758 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -102.43 109.5 21.16 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD12 HD11 ' B' ' 202' ' ' ILE . 7.1 tt -142.22 159.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.866 -178.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.553 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 24.3 mttp -93.52 170.57 9.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.907 0.384 . . . . 10.0 110.19 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -68.93 -32.61 72.34 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -91.28 -6.63 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.687 HG23 ' HB2' ' B' ' 204' ' ' ASP . 3.6 m -77.32 123.05 86.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.518 0.199 . . . . 10.0 111.503 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.87 145.64 98.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.681 2.254 . . . . 10.0 112.689 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.81 -5.1 49.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.32 -47.68 84.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.479 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -70.49 -28.52 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.251 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.39 -45.62 90.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.595 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 72.0 mtm -68.72 -41.7 78.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.032 0.444 . . . . 10.0 110.606 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.29 -46.75 69.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 10.0 112.447 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' ARG . . . -54.2 -48.93 70.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 10.0 111.609 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 85.2 t80 -67.82 -40.59 83.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.884 0.373 . . . . 10.0 110.583 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.1 t -63.52 -43.35 97.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.652 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.41 -37.29 85.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 86.0 mtt180 -69.14 -23.18 63.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.163 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 8.8 mm100 -85.49 -15.38 43.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.182 0.515 . . . . 10.0 109.751 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.68 40.66 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.631 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.2 mt -130.76 172.87 11.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.926 0.393 . . . . 10.0 110.943 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 t -90.1 144.18 26.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.385 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.2 ttp -64.06 -15.46 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 10.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 56' ' ' ARG . 27.0 ttt85 -82.76 -15.68 50.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.671 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -83.56 -34.22 25.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.64 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.45 168.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.06 0.457 . . . . 10.0 111.57 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -131.7 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.792 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.92 126.99 45.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.384 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -125.73 144.64 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.297 0.57 . . . . 10.0 111.61 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.9 t80 -132.02 123.98 28.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.459 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 64.61 19.47 11.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.608 0.718 . . . . 10.0 110.36 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.87 -10.12 70.43 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.663 -0.699 . . . . 10.0 113.03 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.9 143.2 27.11 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.873 0.336 . . . . 10.0 110.64 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.2 140.72 96.15 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.818 2.345 . . . . 10.0 112.121 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.9 mt -81.91 127.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.015 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -71.49 148.77 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.415 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.85 -9.17 58.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 10.0 112.137 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.56 27.12 8.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.116 0.484 . . . . 10.0 111.029 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.44 159.39 15.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.544 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.67 159.97 61.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.141 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.52 -43.09 48.4 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.553 2.168 . . . . 10.0 111.789 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.37 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.321 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -77.33 -30.54 54.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.689 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.93 1.44 57.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.239 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 60.03 36.33 21.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.797 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 86.5 mtp -70.82 145.93 50.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.299 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 7.7 mm-40 -113.59 176.95 4.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -72.34 140.54 48.54 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.2 mt-10 75.71 10.49 3.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.941 0.776 . . . . 10.0 111.062 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -64.53 140.14 58.84 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -105.96 135.79 46.77 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.4 mt -108.65 132.9 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.8 136.73 33.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.916 0.389 . . . . 10.0 111.693 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -118.18 118.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.938 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -116.71 172.74 7.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -117.98 145.99 44.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.661 0.267 . . . . 10.0 110.721 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -79.69 138.17 37.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.064 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -64.93 132.63 49.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.135 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -26.73 62.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 10.0 110.781 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.78 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 24.4 m -118.68 127.41 53.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.896 0.379 . . . . 10.0 111.1 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.7 128.26 50.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.419 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 198' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.85 132.29 8.61 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.734 -0.546 . . . . 10.0 111.734 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 48.6 m -119.58 125.09 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.946 0.873 . . . . 10.0 110.512 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 36.8 mt -124.54 129.54 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.944 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.43 129.27 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 34' ' ' ILE . 4.9 pt -121.99 130.56 74.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.201 0.524 . . . . 10.0 110.272 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.687 ' HB2' HG23 ' A' ' 38' ' ' THR . 8.2 t70 -117.09 126.51 52.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.179 -0.675 . . . . 10.0 109.179 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.109 178.53 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.413 ' NE2' ' HE3' ' A' ' 35' ' ' LYS . 79.9 m80 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.7 tt -105.4 123.43 59.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -90.81 107.23 19.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.289 0.566 . . . . 10.0 111.157 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -98.24 161.93 13.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.234 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.2 mttt -128.8 140.59 51.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 10.0 111.581 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.461 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 63.9 t -113.89 125.99 71.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.69 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.352 . . . . 10.0 110.897 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.76 158.4 52.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.753 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -75.64 -4.73 41.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.334 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -99.8 -30.31 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 10.0 109.928 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -14.96 5.35 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -61.79 137.43 58.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.181 0.515 . . . . 10.0 111.031 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -109.28 127.07 66.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.204 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 5.6 t -119.34 122.5 69.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.77 121.59 40.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 3.0 m-85 -103.28 116.32 32.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.371 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -97.05 98.19 9.86 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -134.37 172.61 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.74 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.3 mttt -101.08 160.88 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.896 -0.322 . . . . 10.0 110.513 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -65.81 -25.98 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -87.15 -11.64 49.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.293 0.568 . . . . 10.0 110.057 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.495 HG21 HG13 ' B' ' 202' ' ' ILE . 98.5 m -75.89 121.91 85.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.171 -0.922 . . . . 10.0 111.536 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 31.9 Cg_exo -58.64 141.14 97.32 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.924 2.416 . . . . 10.0 112.222 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -76.77 -6.33 51.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.87 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.634 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.51 -27.09 64.89 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 8.5 tt -65.63 -47.01 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.609 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 41' ' ' SER . 51.7 mttt -67.59 -46.3 73.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.344 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.15 74.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.702 0.287 . . . . 10.0 111.606 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 t80 -69.49 -40.03 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.335 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.38 -38.73 90.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.946 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 72.9 mm-40 -62.1 -35.36 78.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.93 0.395 . . . . 10.0 110.662 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -73.76 -23.89 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.634 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.1 mm100 -81.49 -30.62 33.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 31.69 25.96 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.44 -0.8 . . . . 10.0 112.591 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 mt -135.91 171.39 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.915 0.388 . . . . 10.0 111.274 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.5 t -76.12 144.18 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.267 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.2 ttp -69.65 -10.74 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.214 0.531 . . . . 10.0 110.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -84.28 -9.82 58.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -88.58 -29.7 19.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 10.0 111.323 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 pt -105.36 167.82 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.379 . . . . 10.0 111.664 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -136.91 133.2 35.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.976 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -104.66 134.3 48.06 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -130.02 139.92 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 10.0 111.443 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -132.46 119.82 21.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.848 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 67.07 25.89 9.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.893 0.854 . . . . 10.0 109.741 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.5 2.46 90.62 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.372 -0.831 . . . . 10.0 112.64 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 60.9 mm-40 -114.5 140.34 25.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 122.767 -0.254 . . . . 10.0 110.452 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.7 Cg_exo -67.76 141.29 53.88 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.54 2.16 . . . . 10.0 111.93 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.92 142.83 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.783 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.12 170.29 8.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.812 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -84.76 21.11 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 10.0 111.281 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 p -129.42 15.17 6.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.129 0.49 . . . . 10.0 110.67 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -104.43 151.68 23.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.501 . . . . 10.0 111.912 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 159.21 73.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.581 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.84 -39.29 88.16 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.36 2.04 . . . . 10.0 112.07 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.87 -10.4 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -95.38 -31.67 13.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 10.0 110.301 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.97 6.5 48.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.267 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 57.8 43.45 21.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.298 0.571 . . . . 10.0 111.202 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.8 mtp -83.66 147.4 27.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.289 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.1 tm-20 -120.83 -177.48 3.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.711 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -68.03 144.07 55.27 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.119 -0.232 . . . . 10.0 110.579 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 10.9 mt-10 72.15 12.83 5.85 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.884 0.74 . . . . 10.0 111.535 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.42 123.75 21.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.5 m -94.8 136.95 34.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.126 0.489 . . . . 10.0 112.094 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.1 mt -112.3 136.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.186 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.16 137.37 32.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.769 0.319 . . . . 10.0 110.793 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.6 t -121.27 114.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -113.0 179.92 3.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.758 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.08 150.94 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.83 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.82 147.29 28.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -71.03 129.83 39.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 p -86.6 12.52 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.383 . . . . 10.0 111.581 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.0 -179.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 m -117.83 123.86 46.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.436 0.636 . . . . 10.0 111.534 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.09 130.21 51.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.19 -0.914 . . . . 10.0 109.773 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.75 130.93 8.49 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.658 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 124.11 47.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 117.57 0.685 . . . . 10.0 110.089 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 12.5 mt -124.61 130.15 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.477 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.57 128.58 76.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.495 HG13 HG21 ' A' ' 38' ' ' THR . 6.5 pt . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.04 0.448 . . . . 10.0 109.879 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.416 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.054 0.454 . . . . 10.0 110.592 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 tt -94.79 137.69 22.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.403 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -110.14 103.85 12.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.902 0.382 . . . . 10.0 110.637 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.92 155.28 19.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.638 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -116.56 113.67 23.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -100.23 106.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.53 132.43 52.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.57 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.9 168.07 29.93 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -74.86 -12.72 60.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.031 0.443 . . . . 10.0 111.04 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.26 -30.59 38.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.581 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.89 -10.5 7.47 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.737 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -78.56 136.52 37.55 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.812 0.306 . . . . 10.0 110.26 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.19 129.29 74.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.064 0.459 . . . . 10.0 110.233 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 120.04 61.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.562 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -76.57 123.91 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CZ ' HG21 ' B' ' 200' ' ' ILE . 0.7 OUTLIER -102.08 107.01 17.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 -178.102 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -87.85 99.76 12.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.989 -1.115 . . . . 10.0 107.989 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.21 166.49 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.656 -179.181 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 34' ' ' ILE . 48.2 mttt -99.08 156.8 16.75 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -64.52 -20.59 66.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.577 0.227 . . . . 10.0 111.475 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -91.99 -6.85 50.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.092 0.473 . . . . 10.0 110.598 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 42.4 m -79.39 123.74 84.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.259 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.811 ' HA ' HG22 ' A' ' 72' ' ' THR . 31.8 Cg_exo -59.73 150.97 73.8 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.998 2.465 . . . . 10.0 113.019 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.99 -3.14 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.271 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 p -60.7 -48.48 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 110.276 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -67.52 -28.24 67.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.213 179.182 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 3.6 tt -64.61 -42.77 95.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.383 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.2 mtm -76.92 -24.0 52.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.699 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -92.09 -41.05 10.71 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.026 0.441 . . . . 10.0 111.339 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -65.53 -35.21 80.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.446 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.41 -40.12 93.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.971 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.43 -28.27 68.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.946 0.403 . . . . 10.0 110.555 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' B' ' 200' ' ' ILE . 33.1 mtt180 -70.27 -44.18 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.73 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.5 -22.63 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.792 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.69 51.15 5.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.478 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -136.32 179.64 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.98 145.5 25.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.4 ttp -63.26 -19.81 64.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.786 0.327 . . . . 10.0 111.553 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -88.03 -3.43 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.836 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -93.46 -24.05 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 10.0 110.666 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 pt -116.95 157.75 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -128.83 142.91 50.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.512 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -115.36 142.58 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.463 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -131.54 147.16 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.074 0.464 . . . . 10.0 111.455 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 70.1 t80 -145.41 120.8 10.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.323 -0.853 . . . . 10.0 108.94 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 63.14 24.21 14.3 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.626 0.727 . . . . 10.0 110.337 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.1 -3.47 87.06 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.656 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -106.18 152.01 40.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.18 152.51 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.353 2.035 . . . . 10.0 111.419 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.07 130.3 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.001 0.429 . . . . 10.0 110.629 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -101.4 162.24 13.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.87 22.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.2 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.63 17.0 6.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.473 -0.33 . . . . 10.0 111.521 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -119.95 163.65 17.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.124 0.488 . . . . 10.0 112.032 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.811 HG22 ' HA ' ' A' ' 39' ' ' PRO . 65.2 p -136.87 165.2 36.87 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.945 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -56.84 -39.34 92.08 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.093 1.862 . . . . 10.0 111.195 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.04 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.037 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.444 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.3 tp60 -73.22 -32.3 64.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.38 . . . . 10.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.35 -2.56 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 58.57 49.07 10.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.229 0.538 . . . . 10.0 110.399 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.471 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 85.9 mtp -79.95 156.52 27.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.332 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.6 OUTLIER -116.44 175.72 5.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.893 -179.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.04 143.61 55.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.811 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.32 16.67 9.29 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.682 0.614 . . . . 10.0 111.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.77 128.45 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -92.27 130.33 37.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.241 0.543 . . . . 10.0 112.292 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.404 HD13 HD21 ' A' ' 43' ' ' LEU . 14.5 mt -102.77 134.69 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.167 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.63 139.7 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.82 0.343 . . . . 10.0 111.618 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.8 t -123.87 124.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -128.79 171.16 12.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.226 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -106.44 154.08 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 10.0 110.309 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -81.75 137.08 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.6 111.78 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.205 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.28 63.37 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.352 -179.678 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.44 123.26 44.77 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.586 0.708 . . . . 10.0 110.582 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.17 128.14 47.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.658 -1.156 . . . . 10.0 109.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.57 132.84 9.19 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.695 -0.764 . . . . 10.0 111.769 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 64.0 m -117.98 123.11 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.392 0.596 . . . . 10.0 110.188 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.543 HG21 ' CZ ' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -124.46 130.88 73.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.171 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.22 126.35 74.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.636 -0.425 . . . . 10.0 110.895 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.426 HG13 HG21 ' A' ' 38' ' ' THR . 11.4 pt . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 m80 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.914 0.388 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.45 136.67 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.836 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -111.08 113.66 26.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 10.0 110.978 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.3 mt -101.61 164.21 11.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.689 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -128.67 104.19 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.641 0.257 . . . . 10.0 110.972 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.04 130.85 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.45 142.49 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.177 0.513 . . . . 10.0 112.261 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.01 166.0 13.36 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.563 -1.015 . . . . 10.0 110.563 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.67 -2.21 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.274 0.537 . . . . 10.0 111.907 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -96.17 -30.04 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.804 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.55 -11.29 7.54 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.29 -0.957 . . . . 10.0 112.954 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 p -64.19 149.74 47.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.831 0.316 . . . . 10.0 110.189 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.14 126.94 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 10.0 110.242 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.54 HG12 ' HB ' ' B' ' 200' ' ' ILE . 2.2 t -118.06 115.66 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.209 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -67.71 122.19 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.397 -0.819 . . . . 10.0 108.809 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -102.47 100.7 10.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -178.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -92.18 104.72 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.81 173.46 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 34' ' ' ILE . 42.4 mttp -97.1 172.6 7.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.56 -16.57 60.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.051 -0.405 . . . . 10.0 111.722 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -105.43 8.44 33.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.993 0.425 . . . . 10.0 110.947 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.487 HG21 HG13 ' B' ' 202' ' ' ILE . 4.4 m -84.85 123.15 74.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.775 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 23.7 Cg_exo -62.86 148.6 93.25 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 10.0 112.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 94.6 mt -80.54 -1.58 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.346 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -47.15 85.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.988 0.423 . . . . 10.0 110.23 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -67.1 -28.46 68.19 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.104 179.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -61.95 -42.41 99.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.748 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.9 mtm -74.74 -41.48 60.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.463 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -71.42 -42.81 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.08 89.08 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.678 0.275 . . . . 10.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.29 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.12 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -62.26 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.429 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.34 -36.69 79.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.475 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -61.89 -38.57 88.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -85.01 -25.26 27.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.466 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.66 42.39 8.38 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.909 -0.662 . . . . 10.0 112.185 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -125.28 -174.41 3.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.068 0.461 . . . . 10.0 110.721 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 t -106.63 139.07 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.389 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttp -64.36 -17.29 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 10.0 111.295 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -84.91 -18.75 33.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 10.0 109.999 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -88.5 -8.5 54.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.982 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.67 168.0 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.023 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -137.73 146.74 44.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.913 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 67' ' ' ILE . 95.1 m-85 -120.45 133.55 55.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.41 . . . . 10.0 110.697 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.33 144.97 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.057 0.456 . . . . 10.0 111.099 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 77.2 t80 -141.77 123.75 15.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 62.2 26.42 15.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.618 0.574 . . . . 10.0 111.248 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 -4.82 85.64 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.06 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -112.92 144.25 30.7 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.727 0.299 . . . . 10.0 110.672 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.52 133.81 26.92 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.642 2.228 . . . . 10.0 112.174 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.452 HD12 ' HB3' ' A' ' 60' ' ' PHE . 16.8 mt -81.58 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.471 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.39 178.87 5.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -87.47 -13.87 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 10.0 110.282 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.5 p -105.73 23.48 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.324 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.82 139.18 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.957 0.408 . . . . 10.0 111.507 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.19 158.41 50.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.202 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -42.34 69.75 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.55 2.167 . . . . 10.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.09 59.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.319 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -67.86 -37.41 81.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.214 0.531 . . . . 10.0 110.192 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.14 -2.36 52.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.442 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 54.92 53.06 10.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.865 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 79.9 mtp -82.52 149.5 27.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.24 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -110.4 -171.07 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.76 145.03 36.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 65.24 16.47 10.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.821 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.31 132.48 48.48 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 9.3 m -100.93 123.4 45.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.1 mt -94.73 136.14 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 10.0 108.902 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -91.46 125.98 36.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.866 0.365 . . . . 10.0 111.108 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.77 130.09 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.3 162.77 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.787 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -97.56 148.58 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.381 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -79.97 140.75 36.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -58.14 146.93 31.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.22 -9.76 41.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.229 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.95 125.88 50.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.193 -0.603 . . . . 10.0 110.861 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.75 125.35 46.36 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.026 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.43 133.65 9.33 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -115.77 124.23 50.23 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.54 ' HB ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -122.65 128.5 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.029 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.53 128.78 72.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 122.0 -0.438 . . . . 10.0 111.434 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.487 HG13 HG21 ' A' ' 38' ' ' THR . 9.4 pt . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.455 -0.943 . . . . 10.0 108.455 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.423 ' NE2' ' HE2' ' A' ' 35' ' ' LYS . 43.4 m80 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.105 0.478 . . . . 10.0 111.016 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.9 tt -108.58 131.91 57.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.285 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -98.74 124.68 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.073 0.464 . . . . 10.0 111.176 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt -115.31 148.1 39.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.181 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -106.95 122.38 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.028 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 59.2 t -88.64 129.78 39.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.29 19.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 10.0 111.413 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.76 150.9 20.56 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.118 -0.563 . . . . 10.0 111.708 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -74.33 -6.05 45.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.785 0.326 . . . . 10.0 111.669 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.3 -19.03 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.096 0.474 . . . . 10.0 110.541 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -6.05 24.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.953 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -73.26 131.27 41.75 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 117.23 0.515 . . . . 10.0 109.612 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -110.17 129.63 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.203 0.525 . . . . 10.0 110.83 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 93.7 t -118.8 126.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.507 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -92.87 115.49 28.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.388 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.85 116.39 29.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -100.98 96.05 6.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.33 169.05 19.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.414 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HE2' ' NE2' ' A' ' 17' ' ' HIS . 14.0 mtmt -95.11 154.83 16.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -65.46 -28.5 69.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.978 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -91.67 9.67 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 10.0 111.647 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.4 m -102.08 123.6 42.91 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.735 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.471 ' HA ' HG22 ' A' ' 72' ' ' THR . 51.2 Cg_exo -54.65 145.7 58.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.248 2.632 . . . . 10.0 112.836 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.4 -1.59 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.122 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.99 -44.4 91.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.09 -29.46 62.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.306 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD21 HD13 ' A' ' 84' ' ' ILE . 1.5 tt -63.05 -40.01 96.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.059 0.457 . . . . 10.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.2 mtm -75.97 -38.98 56.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.421 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.04 -51.36 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.116 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.95 79.58 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 10.0 110.496 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 55' ' ' MET . 8.0 t -71.52 -29.28 64.61 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -63.57 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.448 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.454 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.6 -30.99 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.02 27.55 37.12 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.793 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.4 mt -137.17 170.76 15.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.705 0.288 . . . . 10.0 110.875 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.39 138.68 41.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.342 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.501 ' HA ' ' SG ' ' A' ' 48' ' ' CYS . 40.3 ttp -65.5 -20.74 66.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.075 0.464 . . . . 10.0 110.809 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -77.52 -12.48 59.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.972 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -80.15 -29.25 38.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 10.0 111.021 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 pt -113.07 171.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.368 . . . . 10.0 111.468 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -130.97 146.86 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.059 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -117.85 131.48 56.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.309 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -126.67 151.28 48.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 10.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 69.6 t80 -148.63 124.92 10.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.173 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t0 64.92 21.93 12.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.533 0.682 . . . . 10.0 109.805 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.65 -7.85 80.82 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.817 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 59.9 mm-40 -106.08 147.24 34.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 122.603 -0.351 . . . . 10.0 110.89 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 7.6 Cg_exo -72.26 130.7 16.71 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.757 2.305 . . . . 10.0 112.458 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mt -77.85 137.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -105.17 165.2 11.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -70.29 -12.26 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.76 20.19 19.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.347 . . . . 10.0 111.385 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -96.66 146.04 25.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.144 0.497 . . . . 10.0 111.344 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -129.11 157.42 76.01 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.893 179.048 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.83 -41.93 70.18 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.315 2.01 . . . . 10.0 111.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.13 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.702 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.54 -39.19 38.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 10.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.1 mt -91.98 8.24 38.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 55.28 45.4 25.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.391 0.615 . . . . 10.0 110.567 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.543 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 58.8 mtp -78.77 155.69 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.384 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.89 176.16 8.94 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.247 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.4 t70 -65.72 145.75 55.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.85 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 20.7 mt-10 73.27 17.96 3.85 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.89 0.743 . . . . 10.0 111.78 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 153.01 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 m -110.79 124.56 52.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.341 0.591 . . . . 10.0 112.09 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.419 HD13 HD21 ' A' ' 43' ' ' LEU . 12.8 mt -99.36 121.03 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.759 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.31 124.56 35.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.21 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.27 128.01 68.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.057 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -125.98 179.15 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.374 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -118.12 161.71 19.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.742 0.306 . . . . 10.0 110.619 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -94.32 138.56 32.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.346 -0.388 . . . . 10.0 109.954 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.13 124.22 19.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.239 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -3.09 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.311 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.531 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.872 179.694 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.1 m -117.5 123.24 45.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.45 0.643 . . . . 10.0 111.538 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.63 128.48 46.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.026 -0.988 . . . . 10.0 110.09 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.36 131.46 8.14 Favored Glycine 0 C--O 1.22 -0.746 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.412 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.18 124.27 46.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.056 0.928 . . . . 10.0 110.001 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 18.9 mt -126.6 130.27 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.059 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.79 131.25 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 122.176 -0.328 . . . . 10.0 110.154 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.324 -0.513 0 C-N-CA 120.476 -0.489 . . . . 10.0 110.339 179.681 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.416 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 63.3 m80 . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 120.646 0.26 . . . . 10.0 110.457 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 tt -96.65 124.22 49.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -92.48 121.57 34.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.034 0.445 . . . . 10.0 110.717 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -115.0 143.63 44.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -103.81 126.97 51.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 10.0 111.379 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.7 t -90.13 121.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.81 98.45 10.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.754 0.312 . . . . 10.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.24 148.94 28.7 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.911 -0.876 . . . . 10.0 110.911 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -67.3 -13.53 62.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 10.0 111.413 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -88.85 -12.77 40.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.745 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.15 -4.3 44.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.458 -0.877 . . . . 10.0 114.121 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 p -74.7 160.62 30.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 117.636 0.718 . . . . 10.0 111.065 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.57 130.56 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.236 0.541 . . . . 10.0 111.049 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 27.9 t -118.06 121.99 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.883 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -87.82 107.84 18.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.793 -0.64 . . . . 10.0 109.653 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.2 m-85 -94.18 109.28 21.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -94.73 99.22 11.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.14 162.53 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.358 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 34' ' ' ILE . 65.2 mttt -88.85 167.36 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.716 0.293 . . . . 10.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -73.8 -18.96 60.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -92.0 -20.7 21.07 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.733 -0.387 . . . . 10.0 111.474 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.51 120.67 64.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.285 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.485 ' HA ' HG22 ' A' ' 72' ' ' THR . 39.1 Cg_exo -59.62 142.34 98.66 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.683 2.255 . . . . 10.0 111.554 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.23 -4.99 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.782 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.29 -33.36 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -66.91 -38.52 86.38 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.415 -0.812 . . . . 10.0 109.182 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.68 -27.13 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.042 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 55' ' ' MET . 77.5 mtm -85.11 -5.53 59.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.139 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -117.22 -34.88 4.2 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.76 -59.24 4.87 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.924 0.712 . . . . 10.0 112.924 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -69.68 -30.92 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.008 0.432 . . . . 10.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.77 -42.81 98.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.362 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.31 -30.67 68.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.325 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.48 -40.17 81.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 10.0 110.034 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -79.82 -20.12 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.33 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.69 31.91 48.01 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.582 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.5 mt -107.4 175.53 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.529 . . . . 10.0 110.999 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -94.36 142.52 27.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.03 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 44' ' ' MET . 7.8 ttp -69.64 -14.84 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 10.0 109.855 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.34 -12.67 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.735 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -82.44 -32.77 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.628 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 pt -110.01 168.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.399 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -133.86 142.95 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.804 -0.634 . . . . 10.0 109.92 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -116.8 125.31 51.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.574 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . 79.7 mtt180 -122.86 146.28 47.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.45 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 9.4 t80 -137.9 113.2 9.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.696 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 60.9 40.8 15.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.902 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.9 -40.74 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.723 . . . . 10.0 113.473 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.6 mm-40 -89.42 133.62 34.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.986 0.393 . . . . 10.0 111.354 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HA ' ' HA ' ' A' ' 61' ' ' ARG . 24.4 Cg_exo -64.08 149.96 89.33 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.968 2.445 . . . . 10.0 112.119 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.9 mt -88.37 129.13 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.828 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -89.87 163.06 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -83.16 22.95 0.92 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.59 29.3 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.768 0.318 . . . . 10.0 111.6 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -126.68 152.34 46.88 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 111.59 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 39' ' ' PRO . 7.7 p -119.02 164.95 18.43 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.929 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.714 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -57.52 -38.18 94.79 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.435 2.09 . . . . 10.0 111.864 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.5 -33.85 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.561 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -64.03 -36.21 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.48 0.45 56.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.124 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 55.99 51.16 12.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.126 0.488 . . . . 10.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.714 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 38.4 mtp -82.61 156.15 24.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.183 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -110.99 172.9 6.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.37 145.72 37.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 62.65 38.23 12.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.28 -177.67 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.63 . . . . 10.0 109.422 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -125.44 138.98 54.02 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.36 129.85 70.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.227 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.25 128.69 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 10.0 111.345 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.93 112.62 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.389 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -113.99 173.81 6.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.399 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -118.06 144.85 45.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.435 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -73.05 143.04 47.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.16 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -60.34 126.89 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.366 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 3.64 54.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.342 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.058 -0.592 . . . . 10.0 111.99 179.689 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 6.7 m -118.13 125.64 50.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.347 0.594 . . . . 10.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.38 128.79 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.462 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.55 131.49 8.58 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.817 -0.913 . . . . 10.0 110.817 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.7 m -117.76 123.68 46.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.815 0.807 . . . . 10.0 110.257 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.518 HD12 ' CE1' ' A' ' 32' ' ' PHE . 22.6 mt -125.47 131.35 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.083 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.0 p -122.74 126.69 74.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.226 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 m80 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.935 0.397 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.3 tt -128.58 138.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 55.0 m-80 -103.6 130.86 51.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.991 0.425 . . . . 10.0 111.13 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.9 mt -116.58 163.81 15.53 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 83' ' ' THR . 98.5 mttt -118.54 135.18 54.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.389 0.614 . . . . 10.0 112.23 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.57 117.7 52.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.366 -0.975 . . . . 10.0 108.366 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.81 48.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.481 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.65 170.58 54.23 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.703 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -72.97 -13.5 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 10.0 111.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.57 -10.8 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.037 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.7 -4.49 36.8 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.989 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -69.42 143.0 53.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -127.1 130.0 71.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.813 0.339 . . . . 10.0 110.725 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -115.57 123.34 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.183 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -80.94 115.02 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -93.5 107.93 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.842 -178.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.13 102.81 14.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.74 171.84 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.598 -178.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 34' ' ' ILE . 32.1 mttp -94.03 159.68 15.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -71.74 -7.36 47.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -101.86 -5.48 24.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 10.0 110.693 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.3 m -78.69 119.45 77.33 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.981 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.99 150.96 81.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.825 2.35 . . . . 10.0 111.816 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 35.3 mt -71.67 -8.97 57.39 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -64.27 -35.23 80.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 10.0 109.733 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.636 ' HB3' HD12 ' B' ' 202' ' ' ILE . 14.2 tttp -64.41 -43.33 94.73 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.01 -0.995 . . . . 10.0 110.218 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HG ' ' CZ ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -57.55 -43.85 84.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.031 179.605 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 50.0 ttm -65.37 -41.33 93.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.213 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -82.33 -41.61 19.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -72.44 -27.97 62.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 10.0 110.495 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 58' ' ' ILE . 6.4 t -62.3 -37.63 86.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.581 -0.525 . . . . 10.0 109.581 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -68.43 -31.97 71.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.602 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -68.38 -25.56 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -97.45 -19.73 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.48 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.1 46.27 59.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.44 -179.78 5.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.629 0.252 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -93.14 144.95 24.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.057 0.456 . . . . 10.0 110.705 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.8 -16.4 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.628 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt85 -92.08 2.09 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -107.2 -29.82 9.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.94 0.4 . . . . 10.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.532 HD11 ' SG ' ' A' ' 48' ' ' CYS . 9.1 pt -110.71 137.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.72 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -116.73 144.94 43.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.404 ' CE1' ' HG3' ' A' ' 44' ' ' MET . 94.5 m-85 -119.37 140.12 50.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.834 0.35 . . . . 10.0 110.779 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.2 145.4 51.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 10.0 111.963 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -142.44 134.44 27.25 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.926 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 59.92 27.57 16.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 10.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.85 8.3 87.3 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.757 -0.656 . . . . 10.0 113.201 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -124.1 149.65 61.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.986 0.393 . . . . 10.0 111.098 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.34 136.87 38.33 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.512 2.141 . . . . 10.0 111.485 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.26 129.7 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.843 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -88.3 164.6 15.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -78.66 -6.22 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -111.01 11.61 22.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.58 0.705 . . . . 10.0 110.462 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 11.4 m-20 -83.16 141.77 31.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 151.09 56.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 51.7 Cg_exo -53.98 -45.51 40.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.785 2.324 . . . . 10.0 112.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.76 -17.81 61.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.344 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -83.64 -34.12 25.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 10.0 110.653 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt -92.08 9.75 32.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 55.77 48.97 17.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 91.7 mtp -82.91 153.43 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.759 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.25 -160.47 1.14 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.2 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 156.67 37.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.582 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 62.03 25.87 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 112.093 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.22 126.92 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 4.5 m -114.89 128.05 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.92 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.91 131.42 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.873 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.11 138.83 32.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.565 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -111.73 132.51 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.79 167.39 18.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -123.55 147.7 47.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 10.0 110.777 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.21 154.49 41.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -72.84 141.25 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.371 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -27.44 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.92 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 C-N-CA 120.886 -0.673 . . . . 10.0 111.704 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.237 0.423 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.05 120.69 38.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.604 -0.838 . . . . 10.0 110.825 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.35 127.19 43.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.094 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.02 131.22 8.34 Favored Glycine 0 N--CA 1.437 -1.239 0 C-N-CA 120.352 -0.927 . . . . 10.0 110.79 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.72 122.97 44.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.686 0.743 . . . . 10.0 109.018 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 15.6 tt -125.13 127.89 72.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.484 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.7 p -122.74 128.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.468 -0.493 . . . . 10.0 110.623 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 42' ' ' LYS . 16.0 pt . . . . . 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 10.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.8 m80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.54 0.209 . . . . 10.0 110.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 34' ' ' ILE . 17.7 tt -107.76 136.81 41.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -98.5 108.92 21.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.71 0.291 . . . . 10.0 110.692 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.9 mt -101.59 133.49 46.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.164 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.94 115.41 28.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 10.0 111.391 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 69.9 t -99.36 112.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.86 121.44 43.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.925 0.393 . . . . 10.0 111.885 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.9 37.09 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.572 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -80.09 -5.34 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 10.0 110.898 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -95.9 -14.73 22.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.07 -6.71 32.6 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.475 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.9 p -80.97 135.73 35.91 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 117.475 0.638 . . . . 10.0 110.084 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.56 135.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.061 0.458 . . . . 10.0 110.472 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 53.1 t -115.54 127.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.089 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -91.32 104.3 16.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.42 116.17 27.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.979 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -101.22 100.22 10.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -137.02 170.28 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.792 -178.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 34' ' ' ILE . 24.5 mttp -99.77 160.85 13.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -63.52 -24.98 68.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -91.28 3.72 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.481 . . . . 10.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.47 HG21 HG13 ' B' ' 202' ' ' ILE . 20.5 m -93.51 117.99 67.45 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.943 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.06 140.86 80.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.125 2.55 . . . . 10.0 112.99 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -74.97 -5.3 43.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.663 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.95 96.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.487 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HB2' HD12 ' B' ' 202' ' ' ILE . 1.4 mtpp -67.34 -34.64 77.76 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.7 -43.82 97.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 73.2 mtm -69.53 -44.93 69.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.697 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 52.2 mtmt -66.32 -50.52 63.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 10.0 112.071 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.38 76.66 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.524 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 83.0 t80 -63.08 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.607 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.51 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 10.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 53.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.795 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' B' ' 200' ' ' ILE . 52.3 mtt180 -69.6 -34.11 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.532 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 11.5 mm100 -76.6 -33.5 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.039 0.447 . . . . 10.0 109.849 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.25 11.92 43.82 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.7 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.3 mt -114.62 162.27 16.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.952 0.406 . . . . 10.0 110.903 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -77.48 155.84 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.471 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.4 ttp -70.85 -9.98 58.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -89.73 -7.42 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.245 0.545 . . . . 10.0 110.042 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -100.43 -34.74 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.4 mt -99.85 129.17 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 59' ' ' ARG . 25.6 mmt180 -105.54 141.26 37.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.294 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -123.32 133.36 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.869 0.366 . . . . 10.0 111.004 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -130.02 141.6 50.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.783 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -139.13 130.38 26.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.465 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t0 68.28 10.34 7.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.48 -29.94 9.02 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.666 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -102.72 154.54 37.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.7 -0.294 . . . . 10.0 111.246 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.71 155.98 64.67 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.712 2.274 . . . . 10.0 112.143 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.8 mt -94.58 138.72 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.894 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -90.38 172.7 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.72 -8.27 59.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.711 0.291 . . . . 10.0 111.294 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.96 30.05 7.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.144 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -99.65 135.62 40.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 10.0 111.489 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.6 157.19 50.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.707 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.04 -28.44 87.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.426 2.084 . . . . 10.0 111.631 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.81 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.568 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -76.28 -47.27 24.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.134 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.4 mt -87.32 -2.73 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.512 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 77' ' ' GLU . 5.0 mm-40 53.28 63.21 2.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.87 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.9 mtp -82.2 153.05 26.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.268 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 64.9 mm-40 -107.5 166.93 10.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.651 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.09 140.24 56.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 70.95 16.38 6.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.581 . . . . 10.0 111.638 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.84 148.22 52.13 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.85 131.28 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 mt -104.42 138.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.273 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 132.05 39.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.894 0.378 . . . . 10.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 125.05 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.334 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -126.76 165.6 18.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.809 0.338 . . . . 10.0 110.643 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -110.55 138.3 47.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.269 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -66.78 146.26 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -67.35 142.2 56.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.347 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 -45.98 12.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.208 0.528 . . . . 10.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.809 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.409 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -117.17 123.81 47.61 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.392 0.615 . . . . 10.0 109.848 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.63 131.75 52.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.95 130.97 8.25 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.589 -1.005 . . . . 10.0 110.589 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 17.9 m -119.08 124.59 47.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.269 1.034 . . . . 10.0 110.375 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.412 HD11 ' HD2' ' A' ' 50' ' ' ARG . 19.9 mt -125.59 130.03 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.584 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.98 128.11 76.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.786 HD12 ' HB2' ' A' ' 42' ' ' LYS . 8.7 pt . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 40.6 m80 . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.837 0.351 . . . . 10.0 110.19 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 tt -108.84 128.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -99.28 105.68 17.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.111 0.482 . . . . 10.0 110.965 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 mt -95.1 155.91 16.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.981 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -118.53 120.88 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.943 0.402 . . . . 10.0 111.276 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 98.9 t -89.78 128.83 41.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.44 110.5 22.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.456 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.21 161.23 39.19 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.2 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -77.26 -3.49 40.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 10.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -108.26 8.42 27.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.61 0.92 83.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.905 -0.664 . . . . 10.0 113.316 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 p -73.25 156.49 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.057 0.428 . . . . 10.0 110.743 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.7 p -134.54 133.76 54.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.088 0.471 . . . . 10.0 110.089 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 47' ' ' TYR . 66.8 t -122.84 125.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -87.02 110.31 19.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.429 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.3 m-85 -98.47 104.97 17.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.124 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -89.62 99.56 12.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.173 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.64 165.11 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 10.0 109.929 -179.178 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 37.8 mttt -90.55 159.12 16.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -68.24 -20.98 64.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.571 0.224 . . . . 10.0 111.554 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 35' ' ' LYS . 31.6 p80 -94.22 -3.94 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 10.0 110.585 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 27.8 m -81.57 122.86 81.06 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.201 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 39.9 Cg_exo -58.0 137.9 83.23 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.676 2.251 . . . . 10.0 112.11 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.66 -5.22 36.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.923 0.392 . . . . 10.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -41.73 84.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.67 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.613 ' HB2' HD12 ' B' ' 202' ' ' ILE . 2.0 mtpp -67.96 -35.87 79.11 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.12 0.486 . . . . 10.0 109.814 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.06 -32.34 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.382 -0.827 . . . . 10.0 111.329 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.96 -1.21 57.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.753 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -118.87 -38.44 3.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.59 77.66 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.759 0.281 . . . . 10.0 111.759 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CE2' HG21 ' A' ' 30' ' ' VAL . 27.0 t80 -67.35 -37.51 83.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.6 80.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.256 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.04 -34.43 78.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.199 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 89.0 mtt180 -76.8 -34.65 57.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.283 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -77.7 -25.57 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.01 34.18 27.59 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.094 -0.803 . . . . 10.0 111.094 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -120.53 172.47 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 10.0 110.648 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -96.87 144.74 26.53 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.1 ttp -62.67 -26.59 68.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.984 0.421 . . . . 10.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -84.52 -7.29 59.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -86.36 -21.18 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.003 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 pt -123.62 175.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -136.09 138.56 42.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.264 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.44 127.99 54.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.95 137.86 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.948 0.404 . . . . 10.0 111.005 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.428 ' HB2' HD11 ' A' ' 67' ' ' ILE . 92.8 t80 -132.69 128.43 36.95 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 63.59 16.77 9.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.458 0.647 . . . . 10.0 109.962 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.05 70.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.483 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 86.5 mm-40 -106.99 138.73 19.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.579 0.189 . . . . 10.0 111.097 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 22.0 Cg_exo -65.36 131.72 29.12 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.577 2.185 . . . . 10.0 111.972 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 62' ' ' PHE . 28.9 mt -80.22 135.14 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.691 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -88.5 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.26 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.49 3.38 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.744 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.4 p -126.77 49.2 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.634 0.235 . . . . 10.0 111.634 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -139.26 149.34 44.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 10.0 111.727 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 39' ' ' PRO . 11.0 p -116.55 164.95 16.38 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.026 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.62 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.4 Cg_exo -60.34 -32.32 93.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.194 1.929 . . . . 10.0 111.452 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -37.34 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.543 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -63.7 -37.6 87.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.062 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -93.63 7.01 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.588 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 52.63 53.28 12.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.187 0.518 . . . . 10.0 110.916 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 76.7 mtp -88.45 145.54 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.378 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -106.59 175.74 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.605 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 145.61 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.693 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 66.35 26.68 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.323 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 134.46 34.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.28 141.48 28.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.228 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.9 mt -121.72 134.36 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -94.32 138.21 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.119 0.485 . . . . 10.0 111.984 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.68 117.26 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.596 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.51 164.25 13.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.953 0.406 . . . . 10.0 111.421 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -97.4 147.67 23.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.527 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -84.8 148.8 26.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -59.34 115.78 3.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -30.42 70.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.112 0.482 . . . . 10.0 111.068 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 111.634 -0.587 . . . . 10.0 111.634 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.42 122.97 42.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.697 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.91 126.11 43.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.85 131.48 8.27 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 37.9 m -119.36 124.62 47.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 118.132 0.966 . . . . 10.0 110.399 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.468 HD12 ' CE1' ' A' ' 32' ' ' PHE . 21.4 mt -127.11 131.09 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.052 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.4 128.74 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 42' ' ' LYS . 6.2 pt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.872 0.368 . . . . 10.0 110.919 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 m80 . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.552 0.215 . . . . 10.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.403 HG23 HG23 ' A' ' 34' ' ' ILE . 14.2 tt -126.52 135.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -100.53 113.76 26.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.85 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.5 mt -100.07 161.46 13.59 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.6 mttt -130.64 130.67 44.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.185 0.517 . . . . 10.0 111.336 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -87.76 134.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.917 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.71 96.49 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.89 0.376 . . . . 10.0 110.403 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.2 152.02 26.38 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.49 -9.21 58.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 10.0 111.214 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -98.94 -6.45 28.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.715 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.4 -0.99 60.15 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.11 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 p -67.19 136.27 54.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 10.0 110.719 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.35 118.68 58.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.212 0.529 . . . . 10.0 110.174 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 47' ' ' TYR . 62.0 t -119.32 124.28 72.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.732 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -91.27 124.05 35.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CG ' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.71 114.5 28.64 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.472 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -90.36 113.06 24.86 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.58 -1.267 . . . . 10.0 107.58 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.587 HD12 HD11 ' B' ' 202' ' ' ILE . 8.9 tt -139.52 153.6 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.03 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 46.7 mttp -81.19 156.66 25.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.964 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -100.01 8.16 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.552 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 53.0 m -90.48 126.64 55.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.548 0.213 . . . . 10.0 111.075 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.17 137.54 77.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.056 2.504 . . . . 10.0 112.668 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.73 -8.41 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.456 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -34.41 71.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -64.34 -38.44 91.03 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-O 121.187 0.518 . . . . 10.0 110.475 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' CG ' ' A' ' 32' ' ' PHE . 1.5 tt -65.14 -35.46 81.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.341 -0.845 . . . . 10.0 110.955 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.7 mtm -73.45 -26.55 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.048 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -90.62 -49.24 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.52 -54.66 16.78 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.269 0.84 . . . . 10.0 113.269 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CE2' HG21 ' A' ' 30' ' ' VAL . 11.1 t80 -70.73 -32.61 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.691 -0.404 . . . . 10.0 111.107 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.5 t -64.64 -41.17 96.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.044 0.45 . . . . 10.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.63 -37.65 87.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.145 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.31 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.3 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -81.67 -12.04 58.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.996 0.427 . . . . 10.0 110.338 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.75 44.64 61.95 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.936 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.1 mt -142.35 171.08 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.729 0.299 . . . . 10.0 110.697 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -89.06 142.75 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.9 ttp -63.7 -17.27 62.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.25 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -74.83 -15.31 60.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.997 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -87.34 -25.67 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.908 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.464 HG22 ' HG2' ' A' ' 88' ' ' GLN . 5.4 pt -104.16 163.47 3.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.113 0.482 . . . . 10.0 112.086 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -135.95 128.46 30.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.521 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.425 ' HB3' HD12 ' A' ' 67' ' ' ILE . 66.0 m-85 -102.44 139.18 38.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.84 0.352 . . . . 10.0 111.048 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -133.44 135.45 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.172 0.51 . . . . 10.0 111.097 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 78.9 t80 -136.96 128.36 28.31 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.12 26.46 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.879 0.847 . . . . 10.0 109.544 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.91 5.19 84.16 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.314 -0.857 . . . . 10.0 112.615 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -119.61 145.15 38.43 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.842 -0.211 . . . . 10.0 110.444 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.53 148.79 90.63 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.41 2.074 . . . . 10.0 111.577 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 60' ' ' PHE . 14.7 mt -97.38 144.38 10.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.561 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -92.82 -172.17 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -106.64 25.12 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.231 0.539 . . . . 10.0 110.136 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.92 24.02 1.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.245 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.36 146.61 31.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.754 0.311 . . . . 10.0 111.389 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p -123.17 160.55 49.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.772 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.61 -36.76 98.3 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.348 2.032 . . . . 10.0 111.864 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.787 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -60.84 -45.76 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.664 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -84.58 7.94 18.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 54.32 50.02 17.23 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.165 0.507 . . . . 10.0 111.0 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 74.3 mtp -83.96 142.47 30.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.985 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -108.26 176.38 5.15 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.3 t70 -69.24 143.83 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 26.6 mt-10 71.95 13.57 5.96 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.624 0.578 . . . . 10.0 112.058 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.14 106.75 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 10.0 110.004 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.96 134.62 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.483 -0.781 . . . . 10.0 111.732 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.6 mt -112.16 126.51 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.163 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.72 134.15 40.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.426 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -122.18 113.89 40.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.582 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.18 -177.88 3.38 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG2' HG22 ' A' ' 58' ' ' ILE . 48.4 mt-30 -127.91 159.77 33.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.769 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -69.19 143.0 54.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 10.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.75 30.84 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.285 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.253 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.14 122.99 43.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.158 -0.617 . . . . 10.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.44 41.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.64 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.35 130.06 7.6 Favored Glycine 0 N--CA 1.442 -0.967 0 C-N-CA 120.215 -0.993 . . . . 10.0 111.621 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 4.2 p -121.53 122.69 40.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 117.643 0.721 . . . . 10.0 109.491 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 25.1 mt -125.8 128.88 72.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.22 128.15 75.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.314 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.587 HD11 HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.441 -0.91 0 CA-C-O 121.643 0.735 . . . . 10.0 109.681 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 73.4 m80 . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.817 0.341 . . . . 10.0 110.134 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.4 tt -121.71 128.36 75.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.074 0.464 . . . . 10.0 109.867 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -91.78 118.47 30.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.051 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.1 mt -115.35 135.49 54.08 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 83' ' ' THR . 89.0 mttt -106.06 114.54 28.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.936 0.398 . . . . 10.0 111.226 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.495 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.1 t -82.14 132.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.843 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 161.89 16.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.46 143.22 10.24 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -64.56 -27.59 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 10.0 110.723 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.52 -17.79 40.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.136 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.24 0.17 44.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.242 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -66.48 129.86 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.277 0.538 . . . . 10.0 110.401 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.53 129.99 57.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 10.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 33.7 t -120.65 118.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.31 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -91.53 105.09 17.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.849 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' B' ' 200' ' ' ILE . 0.8 OUTLIER -90.65 118.83 30.4 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.639 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -108.63 100.3 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -131.83 161.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.81 -178.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 34' ' ' ILE . 40.2 mttt -77.39 151.9 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.17 -20.86 65.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -93.97 1.09 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 10.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.456 HG21 HG13 ' B' ' 202' ' ' ILE . 95.4 m -89.51 124.94 63.04 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.359 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.548 ' HA ' HG22 ' A' ' 72' ' ' THR . 48.5 Cg_exo -56.9 143.34 92.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.056 2.504 . . . . 10.0 113.001 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.83 -4.64 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.352 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -50.15 74.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.567 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -64.31 -29.6 70.67 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.714 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.8 -43.94 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 10.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.82 -38.51 79.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.433 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.54 -47.73 58.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.483 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.79 -48.23 75.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.636 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -65.29 -39.11 92.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.016 0.436 . . . . 10.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.1 t -64.34 -43.23 95.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.34 -27.3 67.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.722 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -67.95 -38.51 82.89 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.074 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.11 30.03 26.67 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.939 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -114.26 171.33 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.574 0.226 . . . . 10.0 110.758 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -86.07 143.31 28.14 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.5 ttp -64.13 -19.89 65.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 10.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -88.5 -4.29 58.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.043 0.449 . . . . 10.0 110.553 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -89.34 -22.71 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.948 0.404 . . . . 10.0 110.66 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.9 pt -123.17 165.64 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.361 . . . . 10.0 111.231 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.23 137.51 48.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -106.31 130.92 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.9 0.381 . . . . 10.0 110.773 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -124.76 142.29 51.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.784 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 44.6 t80 -141.21 128.16 20.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 61.85 28.97 17.76 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.499 0.666 . . . . 10.0 110.378 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.03 5.07 89.74 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.647 -0.706 . . . . 10.0 113.352 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.1 mm-40 -124.12 149.66 61.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.093 0.447 . . . . 10.0 110.96 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.0 Cg_exo -68.12 132.8 27.01 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.609 2.206 . . . . 10.0 111.744 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.401 HD11 ' HB2' ' A' ' 62' ' ' PHE . 14.0 mt -80.99 131.62 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.405 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 88.9 m-20 -79.96 169.18 18.24 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.83 25.43 4.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.919 0.39 . . . . 10.0 111.446 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.9 45.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.518 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 9.8 m-20 -130.07 156.71 44.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.178 0.513 . . . . 10.0 111.924 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 39' ' ' PRO . 33.5 p -126.18 162.74 44.24 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.312 -0.858 . . . . 10.0 108.792 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.0 Cg_exo -58.8 -32.16 96.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.15 1.9 . . . . 10.0 111.658 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.5 -30.73 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.066 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.436 ' HB3' ' H ' ' A' ' 72' ' ' THR . 58.1 tp60 -70.36 -38.53 74.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.326 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -94.32 7.44 45.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.605 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 52.59 50.99 16.99 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.203 0.525 . . . . 10.0 110.716 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.542 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.4 mtp -84.4 138.64 32.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.033 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -94.06 167.66 11.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.8 141.55 42.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.154 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 70.58 30.43 3.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.537 0.735 . . . . 10.0 112.499 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.78 178.4 8.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m -122.86 129.97 52.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.129 0.49 . . . . 10.0 112.318 -178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.2 mt -104.44 130.94 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.614 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.32 139.15 35.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.411 . . . . 10.0 111.88 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.8 t -129.39 124.17 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.104 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.39 164.18 20.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.72 -0.218 . . . . 10.0 110.59 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -90.82 149.02 22.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.91 0.386 . . . . 10.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -82.22 140.45 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.271 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.3 117.3 3.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.982 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.79 34.16 2.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.421 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 C-N-CA 120.962 -0.637 . . . . 10.0 111.798 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 120.753 0.311 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.42 128.22 54.41 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 120.969 0.414 . . . . 10.0 110.28 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.56 126.99 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.19 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.77 134.21 9.49 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.66 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.0 m -118.33 126.39 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.944 0.872 . . . . 10.0 110.489 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 18.4 mt -124.54 129.42 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.373 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.03 128.36 76.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.465 HD12 ' HD3' ' A' ' 42' ' ' LYS . 6.4 pt . . . . . 0 C--O 1.236 0.369 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.092 0.472 . . . . 10.0 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 34' ' ' ILE . 16.5 tt -111.5 139.2 36.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.501 -0.926 . . . . 10.0 108.501 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -100.6 103.84 15.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.922 0.392 . . . . 10.0 110.948 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.8 mt -100.58 154.84 18.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.419 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -112.46 126.3 55.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.964 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -108.32 114.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.95 137.83 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.76 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.92 163.6 12.95 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.854 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.27 -6.86 42.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.075 0.464 . . . . 10.0 111.404 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.62 -5.4 25.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.13 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.6 14.8 49.0 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.848 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 p -85.03 151.34 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -129.9 119.65 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.181 0.515 . . . . 10.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.97 122.12 67.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.525 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.45 118.0 24.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.403 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -100.43 111.52 23.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.501 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.74 101.45 13.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.7 HD12 HD11 ' B' ' 202' ' ' ILE . 3.3 tt -134.55 152.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.954 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -79.16 148.71 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 36' ' ' ARG . 39.9 mtp85 -68.2 -7.13 27.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -108.0 -1.38 20.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.953 0.406 . . . . 10.0 111.029 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -85.98 127.76 60.78 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.883 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.667 ' HA ' HG22 ' A' ' 72' ' ' THR . 51.1 Cg_exo -55.46 137.37 77.4 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.038 2.492 . . . . 10.0 112.669 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -72.27 -4.27 28.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.676 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -33.49 71.14 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.844 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.867 ' HB2' HD12 ' B' ' 202' ' ' ILE . 16.1 mtpp -73.35 -35.34 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 10.0 109.576 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.41 -20.62 65.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 40.9 mtm -97.86 12.53 33.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.848 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -135.3 -38.34 0.76 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.96 -50.23 71.36 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -68.81 -34.05 74.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 10.0 110.078 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.617 ' SG ' HD11 ' A' ' 58' ' ' ILE . 37.3 m -62.68 -43.88 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -61.16 -43.35 99.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -68.12 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.153 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -79.25 -26.53 42.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 10.0 110.271 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.93 25.8 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.629 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.06 154.17 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 10.0 110.605 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 t -85.61 150.76 24.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.761 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.7 ttp -62.57 -18.05 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 10.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 56' ' ' ARG . 7.2 tpt180 -76.65 -22.08 54.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -86.85 -33.77 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.617 HD11 ' SG ' ' A' ' 48' ' ' CYS . 8.9 pt -108.27 169.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.857 0.36 . . . . 10.0 111.49 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.0 142.73 49.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.412 ' HB3' HD12 ' A' ' 67' ' ' ILE . 88.7 m-85 -112.94 135.32 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -136.11 145.78 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.23 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -141.19 127.03 19.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.599 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 61.26 23.11 13.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.239 0.542 . . . . 10.0 111.058 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.11 -2.74 81.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.86 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 41.4 mm-40 -110.17 139.89 21.86 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.774 -0.251 . . . . 10.0 110.768 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 11.7 Cg_exo -69.4 127.82 15.45 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.347 2.031 . . . . 10.0 110.903 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 60' ' ' PHE . 24.9 mt -73.04 133.63 31.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.111 0.481 . . . . 10.0 111.671 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.409 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 37.0 m-80 -90.98 167.13 12.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.877 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -84.65 -1.92 56.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.95 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -117.62 34.94 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.71 0.29 . . . . 10.0 111.779 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 12.1 m-20 -121.68 152.64 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.094 0.473 . . . . 10.0 111.943 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.667 HG22 ' HA ' ' A' ' 39' ' ' PRO . 28.9 p -126.54 164.42 34.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 42.8 Cg_exo -57.57 -36.55 98.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.979 1.786 . . . . 10.0 111.502 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.42 62.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.247 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.9 tp60 -63.0 -35.21 79.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 10.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.2 mt -96.23 6.12 49.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.351 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 54.2 44.48 29.06 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.308 0.575 . . . . 10.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.5 mtp -80.99 161.92 24.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.787 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.52 ' C ' HD11 ' A' ' 18' ' ' ILE . 51.5 mm-40 -133.52 -177.9 4.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.398 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.31 153.12 42.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.808 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 70.72 11.67 7.21 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.468 0.707 . . . . 10.0 112.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.98 146.4 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 131.99 54.78 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.6 0.593 . . . . 10.0 112.6 -178.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.2 mp -102.72 130.54 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.219 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.97 125.63 35.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.286 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.6 t -108.85 114.49 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.61 176.19 5.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.982 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -119.4 146.9 44.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.687 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -81.32 143.5 32.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.84 0.352 . . . . 10.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -63.98 138.56 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.76 -30.29 51.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.133 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.764 -0.731 . . . . 10.0 112.166 -179.805 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.91 121.66 39.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.027 -0.669 . . . . 10.0 111.411 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.33 124.55 38.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.722 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.43 130.75 7.62 Favored Glycine 0 C--O 1.22 -0.781 0 C-N-CA 120.667 -0.777 . . . . 10.0 112.478 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 73.8 m -121.14 123.44 42.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.131 0.965 . . . . 10.0 110.711 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 27.4 mt -126.53 129.15 71.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.721 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.31 127.26 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 122.228 -0.295 . . . . 10.0 110.257 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.867 HD12 ' HB2' ' A' ' 42' ' ' LYS . 3.2 pt . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 120.884 0.373 . . . . 10.0 110.755 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 m80 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.42 HD11 ' C ' ' A' ' 79' ' ' GLU . 20.6 tt -101.0 143.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 21.0 m-80 -115.42 123.25 48.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.186 0.517 . . . . 10.0 111.253 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.2 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.413 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 83' ' ' THR . 96.8 mttt -125.49 122.7 37.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.095 0.474 . . . . 10.0 111.363 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 71.4 t -86.81 127.1 40.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.886 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.93 105.35 17.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.942 0.401 . . . . 10.0 111.149 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.89 143.68 25.62 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -65.35 -17.48 64.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.87 0.367 . . . . 10.0 111.664 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.2 -23.78 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.298 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.58 -24.32 5.84 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.419 -0.896 . . . . 10.0 112.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 p -60.15 152.09 25.31 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.739 0.304 . . . . 10.0 110.416 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.32 142.7 37.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 10.0 110.968 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 5.7 t -122.87 118.98 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.402 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.98 113.31 24.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.969 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 19' ' ' ASN . 1.2 m-85 -95.76 112.73 24.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.265 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -97.79 102.35 14.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -136.77 161.53 36.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.362 -178.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' ILE . 50.4 mttp -79.69 153.09 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.02 -14.19 59.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -104.89 10.54 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.892 0.377 . . . . 10.0 111.374 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.426 HG21 HG13 ' B' ' 202' ' ' ILE . 2.9 m -83.38 126.01 72.72 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.162 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.83 136.07 58.71 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.057 2.505 . . . . 10.0 112.381 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.85 -20.06 65.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.582 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -23.89 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.029 0.443 . . . . 10.0 110.714 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.634 ' HB3' HD12 ' B' ' 202' ' ' ILE . 9.7 mtpp -65.99 -44.09 85.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.588 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.547 ' H ' HD12 ' A' ' 43' ' ' LEU . 5.5 mp -64.42 -36.72 85.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 10.0 110.313 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 29.8 ttm -62.45 -30.7 71.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -96.54 -36.41 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.984 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.48 -56.67 18.27 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CE2' HG21 ' A' ' 30' ' ' VAL . 31.0 t80 -68.82 -28.86 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 10.0 110.516 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.466 ' SG ' HD12 ' A' ' 53' ' ' LEU . 50.0 t -65.12 -49.48 69.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.98 -30.41 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -68.57 -38.76 80.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.756 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -75.81 -29.8 58.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 10.0 110.205 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.31 37.81 6.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.067 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.466 HD12 ' SG ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.3 -175.92 3.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 10.0 110.736 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.5 t -85.39 139.83 31.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.577 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.3 ttp -67.58 -23.73 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.313 0.578 . . . . 10.0 110.823 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -86.53 -10.27 54.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.971 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -88.52 -2.44 58.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 10.0 110.608 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 pt -129.42 170.1 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.524 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -140.33 142.01 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.271 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 44' ' ' MET . 27.6 m-85 -112.15 134.7 53.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.884 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -128.71 144.61 51.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.128 0.49 . . . . 10.0 111.406 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -141.19 121.15 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.984 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.07 32.74 17.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.675 0.75 . . . . 10.0 109.798 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.97 63.07 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.885 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 57.4 mm-40 -107.39 135.72 19.65 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.702 -0.293 . . . . 10.0 110.384 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 26.1 Cg_exo -62.62 142.74 90.86 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.484 2.123 . . . . 10.0 111.768 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 60' ' ' PHE . 34.0 mt -89.95 131.68 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.77 0.319 . . . . 10.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -96.3 163.2 13.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.23 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.63 11.57 14.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.865 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 32.19 5.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.971 0.415 . . . . 10.0 111.403 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -125.46 166.07 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 10.0 111.285 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.78 161.64 62.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.241 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.16 -53.26 7.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.107 2.538 . . . . 10.0 112.752 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.94 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.587 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -78.55 -35.7 45.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.984 0.421 . . . . 10.0 110.248 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 mt -94.4 4.31 54.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.15 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 60.9 38.39 17.74 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.32 161.79 28.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' HD11 ' A' ' 18' ' ' ILE . 1.6 mm-40 -125.71 179.82 4.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.576 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.04 144.55 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.295 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 67.34 24.39 8.98 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.333 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 137.23 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 m -91.08 142.26 27.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.992 0.425 . . . . 10.0 111.784 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.6 mt -121.15 132.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.028 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.424 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 2.1 m-20 -90.02 132.92 35.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.1 t -123.35 122.74 65.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.2 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 85' ' ' ASP . 66.7 m-85 -126.44 167.35 15.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.021 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -104.07 149.03 25.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -74.08 146.73 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -69.66 154.19 42.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.756 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -99.15 -43.44 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.148 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 121.77 40.52 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.121 -0.631 . . . . 10.0 111.062 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.86 126.84 43.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.461 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.66 129.02 7.52 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.323 -0.942 . . . . 10.0 111.61 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 23.6 m -121.48 125.27 46.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.546 0.673 . . . . 10.0 110.525 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 8.8 mt -126.99 129.14 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.823 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -121.49 125.92 74.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.092 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 42' ' ' LYS . 4.3 pt . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 10.0 111.062 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.8 m80 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.77 0.319 . . . . 10.0 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 34' ' ' ILE . 18.9 tt -100.93 141.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.786 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -99.12 105.45 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.007 0.432 . . . . 10.0 111.316 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.23 128.52 54.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.807 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -100.2 117.09 33.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.459 . . . . 10.0 111.174 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.17 136.14 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.87 121.88 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.801 0.334 . . . . 10.0 111.16 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.95 -139.21 5.12 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.888 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -112.5 9.45 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.845 0.355 . . . . 10.0 110.954 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.35 -63.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.128 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.07 -7.98 0.49 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.02 98.63 2.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.76 0.314 . . . . 10.0 110.327 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.9 132.13 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.268 0.556 . . . . 10.0 111.195 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.414 HG21 ' CE2' ' A' ' 47' ' ' TYR . 86.5 t -120.34 122.31 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.288 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -92.3 116.06 28.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.7 m-85 -95.62 123.14 39.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.767 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -102.88 98.94 8.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.11 157.52 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.72 -178.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 34' ' ' ILE . 30.6 mttt -79.49 161.82 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -70.96 -15.21 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.791 0.293 . . . . 10.0 111.791 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -98.15 -4.68 35.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.042 0.448 . . . . 10.0 110.309 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.441 HG21 HG13 ' B' ' 202' ' ' ILE . 35.7 m -80.88 122.98 82.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.234 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.9 138.53 82.25 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.123 2.549 . . . . 10.0 112.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.97 -7.84 54.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.95 83.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.784 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -68.08 -28.94 67.79 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.315 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -64.63 -41.14 96.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.041 0.448 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 78.6 mtm -72.82 -38.25 67.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.657 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' SD ' ' A' ' 55' ' ' MET . 10.7 mtmt -72.07 -45.63 59.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.901 -0.59 . . . . 10.0 112.092 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.0 -54.73 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.141 0.423 . . . . 10.0 112.141 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 11.1 t80 -63.31 -40.16 96.58 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.678 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.0 t -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -36.6 84.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.024 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD2' HD11 ' B' ' 200' ' ' ILE . 6.0 ttt-85 -66.72 -30.73 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.638 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.0 mm100 -83.74 -19.8 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.339 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.19 42.82 18.15 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.3 mt -132.42 177.39 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -95.51 140.56 30.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.452 ' SD ' ' HG3' ' A' ' 45' ' ' LYS . 31.9 ttp -66.81 -14.44 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 10.0 110.473 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -85.51 -17.32 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.878 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -83.83 -24.16 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.9 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 pt -113.96 174.07 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.944 0.402 . . . . 10.0 111.546 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -138.9 149.76 45.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.834 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.457 ' HB3' HD12 ' A' ' 67' ' ' ILE . 87.4 m-85 -125.43 139.15 53.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -134.75 150.53 50.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 10.0 111.958 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.2 t80 -140.83 125.99 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.161 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 62.22 21.17 12.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.48 0.657 . . . . 10.0 110.563 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.01 0.03 81.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -112.72 145.49 33.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.687 0.244 . . . . 10.0 110.605 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.14 136.24 43.47 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.432 2.088 . . . . 10.0 111.657 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 60' ' ' PHE . 65.0 mt -82.04 137.84 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.227 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -90.08 159.38 16.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.517 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.18 3.26 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.633 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.45 29.32 5.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.206 0.527 . . . . 10.0 110.478 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.0 159.32 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.396 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.7 OUTLIER -134.18 160.28 69.11 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.624 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.08 -40.73 81.39 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.246 1.964 . . . . 10.0 112.153 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.24 -3.55 43.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.469 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.403 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 37.9 tp60 -99.8 -28.21 13.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 10.0 110.333 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt -101.29 11.68 38.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 55.33 46.98 22.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.216 0.531 . . . . 10.0 110.77 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 80.9 mtp -90.41 141.91 28.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.264 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -120.1 -179.4 3.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.78 154.95 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 62.78 30.11 16.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.664 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 172.79 12.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.381 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 m -133.4 132.69 41.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.177 0.513 . . . . 10.0 111.604 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.1 mt -109.86 130.16 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.755 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.89 144.14 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.601 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.2 t -127.32 128.11 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.307 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -124.39 170.0 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.576 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -113.74 142.39 46.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.212 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -76.21 140.51 41.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.482 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -57.93 147.1 29.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.403 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.25 -30.3 21.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.325 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.213 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.897 -0.408 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.2 p -119.32 123.03 43.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.995 -0.682 . . . . 10.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.7 129.0 48.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.301 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.47 127.92 7.11 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 110.778 -0.929 . . . . 10.0 110.778 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 14.2 m -121.1 123.82 43.26 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.29 -0.564 . . . . 10.0 110.52 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.467 HD11 ' HD2' ' A' ' 50' ' ' ARG . 19.1 mt -126.07 131.19 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.686 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.02 127.93 75.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.478 HD12 ' HD3' ' A' ' 42' ' ' LYS . 7.9 pt . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.885 0.374 . . . . 10.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 tt -109.55 142.32 22.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -107.89 137.8 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 10.0 111.394 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 mt -121.82 164.87 16.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.955 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' THR . 82.6 mttt -122.61 136.56 54.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.047 0.451 . . . . 10.0 111.129 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.2 t -100.81 123.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.832 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 83' ' ' THR . . . -93.23 104.97 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.021 0.438 . . . . 10.0 111.614 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.89 157.79 27.63 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.449 -1.06 . . . . 10.0 110.449 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -87.76 -6.1 58.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.128 0.464 . . . . 10.0 110.849 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -99.74 -8.41 24.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.86 -10.12 40.71 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.149 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -77.49 136.08 38.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.197 0.498 . . . . 10.0 110.203 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.33 131.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.348 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.0 t -115.62 125.4 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.1 0.476 . . . . 10.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -80.96 113.65 19.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.431 -0.951 . . . . 10.0 108.431 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.03 106.98 19.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.653 -178.518 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -93.16 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.47 166.34 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.611 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' HG13 ' A' ' 34' ' ' ILE . 17.3 mttt -92.39 156.31 17.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -64.7 -23.92 67.41 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -90.86 -8.54 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 10.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.582 HG21 HG13 ' B' ' 202' ' ' ILE . 47.7 m -76.52 119.6 78.05 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.165 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.593 ' HA ' HG22 ' A' ' 72' ' ' THR . 37.2 Cg_exo -56.59 145.28 81.83 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.833 2.355 . . . . 10.0 113.02 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.5 -7.35 49.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -31.34 70.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.383 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.651 ' HB2' HD12 ' B' ' 202' ' ' ILE . 24.2 mtpt -70.46 -30.82 67.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.351 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.8 tt -65.55 -38.43 89.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.285 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -83.21 3.35 31.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.32 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -116.56 -53.57 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.36 -47.02 82.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.918 0.39 . . . . 10.0 111.428 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -71.92 -28.55 63.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.966 0.412 . . . . 10.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 58' ' ' ILE . 5.3 t -69.42 -43.87 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.334 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.77 -36.46 83.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.524 ' HD2' HD11 ' B' ' 200' ' ' ILE . 31.7 mtt180 -62.97 -40.5 97.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.12 -14.78 58.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.948 0.404 . . . . 10.0 110.696 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.74 62.53 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.011 -0.614 . . . . 10.0 111.945 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.41 167.51 12.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.573 0.225 . . . . 10.0 110.415 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 t -91.48 140.88 29.33 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.2 ttp -61.86 -22.61 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.162 0.506 . . . . 10.0 110.625 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.4 ttt85 -78.84 -11.38 59.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.963 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -94.25 -36.86 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.934 0.397 . . . . 10.0 111.044 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.429 HD11 ' SG ' ' A' ' 48' ' ' CYS . 11.3 pt -97.32 166.85 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.467 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -136.09 142.9 44.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.845 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -117.46 135.51 53.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 10.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -127.17 143.94 51.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.442 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 92.1 t80 -145.97 130.36 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.719 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.24 26.0 15.57 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.425 0.631 . . . . 10.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.91 73.95 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.962 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -111.38 153.47 44.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.822 0.311 . . . . 10.0 110.337 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.13 143.83 32.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.744 2.296 . . . . 10.0 111.669 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.0 mt -88.44 130.89 37.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.765 0.317 . . . . 10.0 110.993 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -94.27 171.9 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.2 11.08 12.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.054 0.455 . . . . 10.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -125.55 28.04 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.237 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -118.79 146.34 44.89 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.42 0.629 . . . . 10.0 112.333 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 39' ' ' PRO . 10.4 p -122.47 161.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.867 -1.06 . . . . 10.0 109.088 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.518 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 40.2 Cg_exo -57.66 -38.9 91.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.419 2.079 . . . . 10.0 111.71 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.68 84.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -62.32 -39.02 91.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.489 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.41 8.84 43.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.804 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 49.25 51.54 16.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.764 0.665 . . . . 10.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 85.0 mtp -76.56 146.22 38.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.216 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 10.6 mm-40 -121.54 176.49 5.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.268 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 3.8 t70 -72.17 158.5 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.898 -0.779 . . . . 10.0 108.898 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.2 mm-40 70.49 5.38 5.35 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.338 0.399 . . . . 10.0 111.54 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.3 t0 -77.44 145.11 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 4.3 m -120.21 135.31 55.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.2 mt -107.3 133.33 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.294 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -88.22 135.89 33.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.258 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.86 121.95 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.808 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.3 179.29 4.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.219 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.426 ' HG2' HG22 ' A' ' 58' ' ' ILE . 34.8 mt-30 -129.42 143.23 50.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -68.92 141.96 54.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.364 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -57.39 142.93 42.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.707 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -47.25 77.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.998 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--O 1.236 0.367 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.04 116.75 27.51 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.385 -0.926 . . . . 10.0 110.532 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.1 128.59 40.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.778 -1.101 . . . . 10.0 109.143 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.53 129.76 7.85 Favored Glycine 0 N--CA 1.436 -1.303 0 C-N-CA 119.706 -1.235 . . . . 10.0 110.829 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 74.1 m -122.69 122.89 39.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.869 0.834 . . . . 10.0 110.631 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.524 HD11 ' HD2' ' A' ' 50' ' ' ARG . 43.6 mt -127.34 128.81 70.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.989 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.2 p -122.67 128.27 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 42' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.318 -0.789 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 5.3 m80 . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 120.705 0.288 . . . . 10.0 110.4 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.7 tt -103.51 130.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.21 113.89 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.046 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.02 145.87 27.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.053 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -105.9 117.25 33.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.729 0.299 . . . . 10.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 42.1 t -95.0 122.98 46.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.732 -0.84 . . . . 10.0 108.732 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.1 115.3 29.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 10.0 112.068 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.92 165.97 33.56 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.793 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -79.11 -9.82 59.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.071 0.462 . . . . 10.0 110.806 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -91.84 -7.87 48.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.78 4.65 56.86 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.83 -0.7 . . . . 10.0 113.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 p -73.86 145.37 44.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.746 0.308 . . . . 10.0 110.645 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.93 112.8 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.305 0.574 . . . . 10.0 109.759 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 40.7 t -111.69 124.83 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.7 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -95.47 112.44 24.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.788 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' B' ' 200' ' ' ILE . 2.8 m-85 -97.28 109.22 22.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.948 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -93.38 102.12 14.36 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.51 168.8 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.102 -178.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 26.9 mttt -93.03 154.58 18.04 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -63.41 -24.99 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.631 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -93.66 -2.49 53.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.044 0.45 . . . . 10.0 110.861 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 92.4 m -83.19 119.92 74.95 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.129 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.579 ' HA ' HG22 ' A' ' 72' ' ' THR . 53.0 Cg_exo -55.3 139.93 81.51 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.911 2.407 . . . . 10.0 112.366 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.5 -0.09 14.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.437 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -39.03 93.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.422 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.746 ' HB2' HD12 ' B' ' 202' ' ' ILE . 0.1 OUTLIER -70.85 -30.56 67.0 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.346 179.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 32' ' ' PHE . 3.4 tt -60.41 -45.74 92.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.829 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.5 mtm -68.75 -44.92 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.738 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.354 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.49 81.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 10.0 111.577 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -70.84 -38.23 73.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.062 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 p -67.05 -35.05 79.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.788 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -69.49 -38.73 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.709 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -67.6 -34.9 77.93 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.808 0.337 . . . . 10.0 110.614 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.7 -30.63 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.191 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.04 33.45 10.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -127.57 153.79 45.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.58 0.228 . . . . 10.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.2 t -68.56 147.41 52.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.245 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.4 ttp -65.5 -18.78 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.112 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -81.79 -16.35 51.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 10.0 110.766 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.14 -30.14 26.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 10.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 pt -93.02 153.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.09 113.22 15.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.052 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 67' ' ' ILE . 6.8 m-85 -94.8 133.19 38.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.928 0.394 . . . . 10.0 111.214 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.04 148.63 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 23.1 t80 -144.37 125.56 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.115 178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 62.0 29.96 17.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.496 0.665 . . . . 10.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.45 -13.62 45.42 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.507 -0.769 . . . . 10.0 113.004 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.9 mm-40 -101.92 138.53 19.82 Favored Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 122.749 -0.265 . . . . 10.0 110.74 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 37.7 Cg_exo -61.32 144.32 98.47 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.553 2.169 . . . . 10.0 111.464 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 60' ' ' PHE . 23.4 mt -84.64 139.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.06 0.457 . . . . 10.0 110.853 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.74 176.93 8.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.211 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -99.85 0.83 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.407 . . . . 10.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.66 50.14 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.678 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.54 150.93 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 10.0 111.488 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 39' ' ' PRO . 14.6 p -122.87 160.5 48.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.619 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.88 -31.04 93.23 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.221 1.947 . . . . 10.0 111.44 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.85 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.082 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -75.23 -29.18 60.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 10.0 111.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.01 -1.93 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.743 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 57.66 51.95 8.85 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.779 0.674 . . . . 10.0 110.996 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.8 mtp -94.01 152.53 18.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -119.47 176.06 5.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.52 153.57 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.484 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 66.72 30.95 7.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.037 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -85.84 156.23 20.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.0 m -113.85 124.17 51.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.398 0.618 . . . . 10.0 112.117 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -105.3 132.58 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.558 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.96 137.38 35.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.806 0.336 . . . . 10.0 111.347 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -124.44 113.78 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.619 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -113.22 -172.79 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -129.92 145.51 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 10.0 110.712 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -68.22 136.36 53.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.68 133.9 55.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.104 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -21.53 43.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.646 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.261 -179.877 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.31 124.21 47.25 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.477 0.656 . . . . 10.0 111.594 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.05 128.11 48.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.192 -0.913 . . . . 10.0 109.766 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.75 131.59 8.58 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 2.7 m -119.34 124.43 46.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.91 0.855 . . . . 10.0 109.619 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.547 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 3.3 mt -125.07 130.72 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.8 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.97 127.7 75.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 176.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 42' ' ' LYS . 8.7 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 10.0 110.956 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 m80 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.664 0.269 . . . . 10.0 110.277 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 tt -102.12 131.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.32 117.69 34.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.853 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.73 155.42 24.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.265 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -110.16 154.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.891 0.377 . . . . 10.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -113.46 115.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.701 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 85' ' ' ASP . . . -84.68 99.25 10.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.951 0.405 . . . . 10.0 110.729 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.4 166.17 39.78 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.62 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -94.63 -5.22 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.078 0.466 . . . . 10.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.73 -35.27 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.47 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.49 -28.13 2.79 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.457 -0.877 . . . . 10.0 112.724 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.6 p -62.43 145.05 55.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.091 0.472 . . . . 10.0 110.795 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.1 p -131.25 136.17 58.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.78 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 16.1 t -116.85 118.16 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.189 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -73.8 112.61 10.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -88.56 102.49 14.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.62 -178.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -92.1 100.16 12.84 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -133.8 167.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.804 -179.151 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -93.41 153.62 18.4 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.143 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 10.7 ttt85 -63.92 -17.83 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.861 0.362 . . . . 10.0 111.261 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -103.57 10.53 36.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 10.0 111.079 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 88.7 m -95.0 128.39 39.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.165 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.25 139.72 72.58 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.987 2.458 . . . . 10.0 112.834 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD11 ' SD ' ' A' ' 78' ' ' MET . 31.5 mt -76.05 -10.79 59.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.992 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 p -60.29 -33.89 72.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.042 0.448 . . . . 10.0 110.083 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.864 ' HB2' HD12 ' B' ' 202' ' ' ILE . 21.3 mtpp -64.39 -34.8 79.02 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.158 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -56.72 -44.58 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.028 -179.144 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 72.2 mtm -71.87 -49.53 37.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.103 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -63.48 -52.85 59.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.91 90.8 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -72.67 -37.95 67.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.254 -0.179 . . . . 10.0 111.044 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.8 t -62.69 -34.28 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 10.0 110.525 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -65.21 -33.77 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.791 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -71.04 -33.41 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 10.0 109.965 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -78.8 -28.82 44.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.439 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.71 36.99 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -121.18 169.68 10.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.676 0.274 . . . . 10.0 110.278 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.9 t -82.56 144.28 30.47 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.98 -20.12 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 10.0 110.602 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -87.56 -7.99 56.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -86.01 -24.31 26.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.364 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 pt -119.45 172.2 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 10.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -138.97 145.97 40.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -113.67 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -126.92 142.85 51.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.71 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.487 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 40.5 t80 -133.76 118.85 18.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.19 13.41 8.72 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.612 0.72 . . . . 10.0 110.453 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.84 -10.89 60.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.812 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 37.9 mm-40 -96.71 138.67 21.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 13.0 Cg_exo -69.75 131.69 21.78 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.276 1.984 . . . . 10.0 111.62 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 62' ' ' PHE . 12.2 mt -84.97 140.18 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.347 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -103.79 167.7 9.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.783 0.325 . . . . 10.0 110.227 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -74.36 -5.31 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.882 0.372 . . . . 10.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.83 22.23 16.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.584 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.27 151.34 23.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 111.29 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.446 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -137.69 162.8 52.55 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.687 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 54.2 Cg_exo -53.31 -46.03 36.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.682 2.255 . . . . 10.0 112.662 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -20.94 58.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 10.0 111.214 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.446 ' HB3' ' H ' ' A' ' 72' ' ' THR . 40.2 tp60 -71.71 -33.1 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.238 0.542 . . . . 10.0 110.221 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.6 mt -102.96 4.01 36.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.661 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 56.07 41.31 29.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.8 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.523 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 55.5 mtp -75.54 145.27 41.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.76 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -120.76 -177.05 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.577 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 5.2 t70 -75.62 159.64 30.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.7 mm-40 73.09 3.15 4.59 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.458 0.474 . . . . 10.0 111.243 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.47 151.48 34.65 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -126.43 136.45 52.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.41 . . . . 10.0 111.874 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.85 134.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 8.1 m-20 -91.01 137.52 32.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 10.0 111.268 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.03 125.74 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -126.43 160.48 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.857 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.41 149.47 23.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -84.66 133.15 34.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.9 0.381 . . . . 10.0 110.109 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -61.68 143.05 56.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.554 -0.748 . . . . 10.0 111.546 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.57 -19.07 20.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.034 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.371 -179.72 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -118.88 126.14 51.12 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.402 -0.519 . . . . 10.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.84 129.67 52.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.63 133.47 9.48 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.26 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.6 m -117.24 124.04 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.535 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 7.4 tt -126.11 129.65 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.949 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.3 p -123.05 128.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 121.727 -0.608 . . . . 10.0 111.399 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.864 HD12 ' HB2' ' A' ' 42' ' ' LYS . 4.0 pt . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 3.7 m80 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.741 0.305 . . . . 10.0 110.391 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.2 tt -98.02 127.29 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.864 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -90.28 104.28 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.106 0.479 . . . . 10.0 111.133 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.07 156.07 17.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.637 -0.711 . . . . 10.0 109.364 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -122.59 138.7 54.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 10.0 112.029 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.31 118.59 57.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.471 -0.786 . . . . 10.0 108.938 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.67 113.75 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.94 0.4 . . . . 10.0 111.062 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.57 168.89 30.99 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.867 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -70.49 -19.38 62.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.108 0.48 . . . . 10.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.59 -28.33 56.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.239 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.69 -13.46 32.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.647 -0.787 . . . . 10.0 111.519 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.57 121.46 16.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.72 134.26 38.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 10.0 110.838 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.44 124.48 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.99 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -87.5 115.82 25.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CZ ' HD13 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -93.28 111.02 22.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.945 -179.026 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 34.2 tttt -97.15 102.96 14.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -135.86 164.39 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.336 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 34' ' ' ILE . 12.0 mttp -86.5 153.52 21.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -69.46 -5.45 23.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.511 0.559 . . . . 10.0 112.511 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -118.42 14.01 13.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.439 0.637 . . . . 10.0 110.119 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.5 m -95.66 125.04 50.78 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 144.63 56.18 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.898 2.398 . . . . 10.0 112.767 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.05 -1.6 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.74 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -39.45 91.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 10.0 110.333 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.824 ' HB2' HD12 ' B' ' 202' ' ' ILE . 0.3 OUTLIER -69.3 -32.69 71.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.215 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 1.5 tt -62.84 -35.81 81.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.996 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 69.2 mtm -81.51 -30.0 33.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.796 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -90.04 -40.56 12.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' B' ' 200' ' ' ILE . . . -57.16 -50.39 72.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.19 -32.11 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 10.0 110.368 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 44' ' ' MET . 19.4 t -64.73 -44.39 90.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.33 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -65.34 -35.96 82.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.974 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -61.55 -37.83 85.23 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.12 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -79.75 -20.33 46.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.56 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.48 33.16 35.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.217 -0.516 . . . . 10.0 112.647 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.9 mt -122.51 173.9 7.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.688 0.28 . . . . 10.0 110.568 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -89.95 143.02 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.191 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.9 ttp -65.98 -19.62 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.926 0.393 . . . . 10.0 110.44 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -82.84 -10.83 58.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -89.59 -27.1 20.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 10.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.0 pt -112.17 169.09 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.13 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -140.33 143.06 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.877 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -117.6 133.72 55.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -129.6 138.61 51.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.985 0.421 . . . . 10.0 111.522 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 80.1 t80 -131.04 129.15 41.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.839 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.2 23.03 13.57 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.54 0.686 . . . . 10.0 109.963 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.38 1.86 90.27 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.388 -0.823 . . . . 10.0 112.832 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -108.76 141.05 22.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.65 0.225 . . . . 10.0 110.753 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.59 131.14 23.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.702 2.268 . . . . 10.0 111.859 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -84.49 140.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -102.97 -177.88 3.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.439 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.18 12.56 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.83 0.348 . . . . 10.0 111.324 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 p -131.7 37.16 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.992 0.425 . . . . 10.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.07 153.06 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.14 0.495 . . . . 10.0 111.445 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.507 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -128.2 163.0 46.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.54 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 53.1 Cg_exo -55.48 -46.52 31.67 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.519 2.146 . . . . 10.0 112.076 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.79 75.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.755 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.507 ' HB3' ' H ' ' A' ' 72' ' ' THR . 43.0 tp60 -64.2 -38.43 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.22 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.1 mt -93.97 6.4 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 58.22 43.22 20.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.062 0.458 . . . . 10.0 110.592 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 74.3 mtp -85.62 142.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.788 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -121.73 177.79 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.168 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 10.5 t70 -68.06 146.81 53.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.254 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.5 mm-40 78.26 3.07 2.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.534 0.734 . . . . 10.0 112.2 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.35 142.75 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.313 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -113.53 142.96 45.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.034 0.445 . . . . 10.0 111.703 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.4 mt -115.51 133.98 60.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.754 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -86.79 142.49 28.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 10.0 111.109 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.6 t -112.8 120.7 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.386 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -119.18 169.55 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.372 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -120.2 159.74 24.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.016 -0.365 . . . . 10.0 110.016 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -85.26 145.16 27.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.758 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -67.58 141.37 56.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.849 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -44.24 46.19 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 10.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.424 179.642 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 p -117.58 122.72 44.4 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.909 0.862 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.85 127.87 46.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.692 -1.14 . . . . 10.0 109.093 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.03 130.39 8.21 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 111.044 -0.823 . . . . 10.0 111.044 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.0 m -118.18 122.78 43.89 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.479 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 13.4 tt -125.6 128.72 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.818 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.4 128.34 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 121.79 -0.569 . . . . 10.0 111.868 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.824 HD12 ' HB2' ' A' ' 42' ' ' LYS . 12.9 pt . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m80 . . . . . 0 C--O 1.236 0.391 0 CA-C-O 121.053 0.454 . . . . 10.0 110.151 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.1 tt -108.48 128.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.18 101.99 14.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.977 0.417 . . . . 10.0 110.711 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.1 mt -94.6 155.54 16.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.46 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -118.05 126.66 52.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.125 0.488 . . . . 10.0 111.692 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 93.7 t -91.63 131.56 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.706 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.24 103.31 12.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 143.72 20.23 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.438 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.58 -17.18 62.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 10.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.89 -0.14 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.758 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.47 35.27 7.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.845 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -107.21 139.99 40.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.37 125.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.204 0.526 . . . . 10.0 110.308 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 38.6 t -122.05 124.35 71.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -87.15 110.44 20.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.221 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.6 113.01 24.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.034 0.445 . . . . 10.0 110.675 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' O ' HG23 ' B' ' 201' ' ' VAL . 71.1 tttt -101.94 101.6 12.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.414 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.39 167.69 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 34' ' ' ILE . 37.5 mttt -88.94 158.31 18.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.861 0.363 . . . . 10.0 110.393 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -69.12 -21.89 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.527 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -90.27 -8.44 50.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.258 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.433 HG21 HG13 ' B' ' 202' ' ' ILE . 91.4 m -79.43 124.15 84.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.405 -0.816 . . . . 10.0 111.779 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.09 143.24 99.87 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.847 2.365 . . . . 10.0 112.228 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.7 mt -76.58 -6.72 53.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.71 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -61.05 -46.35 91.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -28.94 69.15 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 10.0 tt -68.11 -52.22 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.04 -43.42 86.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.179 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -73.76 -38.89 64.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.002 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.91 71.37 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.871 0.367 . . . . 10.0 111.646 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -63.8 -37.44 87.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.0 t -67.93 -42.34 81.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.62 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.68 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.466 . . . . 10.0 109.94 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -70.02 -33.17 71.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.481 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.96 -30.96 50.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.322 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.42 44.7 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.076 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -143.52 -173.16 3.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.9 t -100.7 144.11 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.303 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 ttp -65.78 -21.2 66.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.101 0.477 . . . . 10.0 110.717 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 56' ' ' ARG . 21.5 ttt180 -77.78 -12.67 60.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.16 0.505 . . . . 10.0 110.458 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -87.33 -8.15 57.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.426 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.5 pt -134.0 171.34 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.368 . . . . 10.0 111.137 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -136.51 133.92 37.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HB3' HD12 ' A' ' 67' ' ' ILE . 79.1 m-85 -104.27 133.74 48.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.848 0.356 . . . . 10.0 110.089 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.66 142.58 51.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.724 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 81.7 t80 -136.54 120.46 17.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.427 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.19 14.91 9.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.485 0.66 . . . . 10.0 110.859 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -0.64 59.42 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.258 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -115.58 148.55 41.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.487 0.184 . . . . 10.0 110.864 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.73 153.7 68.75 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.591 2.194 . . . . 10.0 112.242 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 60' ' ' PHE . 37.9 mt -104.32 135.53 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.922 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -94.84 158.86 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.47 25.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.731 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.39 18.9 2.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.38 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -100.46 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.262 0.553 . . . . 10.0 111.618 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -130.41 159.74 69.23 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 10.0 109.165 178.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.52 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 50.8 Cg_exo -55.22 -44.8 45.66 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.413 2.076 . . . . 10.0 112.016 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.33 -32.8 73.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.498 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 24.6 tp60 -68.38 -33.43 74.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.678 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.29 6.05 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.64 -0.254 . . . . 10.0 111.428 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 61.45 36.64 17.13 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.509 0.506 . . . . 10.0 110.741 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.3 mtp -77.47 142.15 39.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.179 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 6.1 mm-40 -122.68 175.61 6.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.799 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 9.1 t70 -61.72 137.18 58.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.363 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 6.6 mm-40 75.83 15.24 2.57 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 124.026 0.829 . . . . 10.0 111.952 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -68.39 140.49 55.84 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -104.35 129.72 52.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.05 127.48 69.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.201 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -94.02 135.17 35.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 10.0 111.221 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 128.85 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.981 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.82 158.82 29.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.576 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -92.6 151.74 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.058 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -82.77 145.32 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -66.74 139.02 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 10.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.57 -37.42 27.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.677 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.194 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.368 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 121.06 39.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 119.728 -0.789 . . . . 10.0 111.176 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.5 125.21 42.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.638 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.37 132.5 8.56 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.037 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 18.5 m -119.16 123.39 44.27 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 117.95 0.875 . . . . 10.0 109.681 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 29.9 mt -126.33 130.81 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.731 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 33' ' ' LYS . 3.3 p -121.74 130.12 74.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.433 HG13 HG21 ' A' ' 38' ' ' THR . 8.6 pt . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.8 m80 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.746 0.308 . . . . 10.0 110.606 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 34' ' ' ILE . 18.0 tt -125.95 141.15 46.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -107.55 104.81 14.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.22 0.533 . . . . 10.0 111.27 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.406 HD22 ' HE1' ' A' ' 78' ' ' MET . 38.9 mt -99.83 166.49 11.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.316 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 83' ' ' THR . 95.8 mttt -136.57 137.52 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.318 0.58 . . . . 10.0 111.993 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 48.6 t -114.16 129.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.66 116.91 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.581 -0.282 . . . . 10.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.54 165.61 52.9 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.865 -0.684 . . . . 10.0 111.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.83 -11.31 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 10.0 111.318 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.14 -14.09 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.67 -8.15 29.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.652 -0.785 . . . . 10.0 113.325 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.7 p -63.25 141.84 58.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.18 126.2 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.239 0.542 . . . . 10.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 61.8 t -112.18 122.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.637 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -88.94 118.01 28.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.332 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.25 106.33 17.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.937 0.399 . . . . 10.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -98.72 98.27 9.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -134.57 174.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.866 -178.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 34' ' ' ILE . 28.0 mttt -95.0 159.54 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -65.79 -23.25 66.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.495 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -94.69 -1.02 53.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 111.346 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.595 HG21 HG13 ' B' ' 202' ' ' ILE . 55.5 m -78.56 122.68 85.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.06 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.89 136.03 65.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.829 2.353 . . . . 10.0 112.459 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.49 -9.63 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -62.67 -35.78 80.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.389 . . . . 10.0 110.331 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.856 ' HB2' HD12 ' B' ' 202' ' ' ILE . 1.8 mtpp -69.2 -30.32 68.48 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.208 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.89 -49.52 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.9 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 56.4 mtm -62.49 -43.9 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.49 -43.68 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.77 71.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.818 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.84 -34.11 64.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.82 0.343 . . . . 10.0 110.79 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' SG ' HD11 ' A' ' 58' ' ' ILE . 2.3 t -67.2 -39.96 86.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.67 -32.95 74.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.511 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 66.3 mtt180 -69.46 -26.17 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.674 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -92.08 -14.67 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.283 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.94 38.36 84.66 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.488 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.1 mt -129.26 165.59 21.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 10.0 110.666 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -74.47 139.6 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 10.0 110.408 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.2 ttp -68.26 -23.65 64.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -74.98 -12.45 60.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.17 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -86.48 -13.24 46.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.105 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.455 HD11 ' SG ' ' A' ' 48' ' ' CYS . 1.6 pt -120.51 171.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 10.0 111.701 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -138.43 128.01 24.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.871 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' A' ' 67' ' ' ILE . 17.8 m-85 -102.16 130.29 48.75 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -127.02 136.08 51.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.245 0.545 . . . . 10.0 111.134 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -132.03 128.37 38.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.068 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.67 22.02 12.95 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.758 0.79 . . . . 10.0 109.795 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.66 -2.34 87.27 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.96 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -111.22 141.43 24.33 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.927 0.363 . . . . 10.0 110.831 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.72 138.73 71.03 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.47 2.113 . . . . 10.0 111.281 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 60' ' ' PHE . 10.1 mt -88.94 139.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.8 0.333 . . . . 10.0 110.87 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.9 162.1 13.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.883 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.32 5.27 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.191 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 11.0 13.97 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -106.75 163.81 12.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 10.0 111.881 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.96 163.68 48.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.504 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.53 -42.62 63.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.334 2.023 . . . . 10.0 111.653 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.71 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.86 -37.82 87.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 10.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.81 0.84 56.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.63 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 56.64 47.65 18.0 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.556 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.406 ' HE1' HD22 ' A' ' 20' ' ' LEU . 93.0 mtp -78.56 159.78 27.96 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.267 -0.879 . . . . 10.0 111.38 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.44 -179.97 5.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.892 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.91 155.86 37.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.65 20.32 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.556 0.535 . . . . 10.0 111.027 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.15 121.45 25.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.342 -0.39 . . . . 10.0 109.952 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -91.26 133.3 35.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.923 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.66 131.68 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.409 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -93.92 137.38 33.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.064 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.8 120.31 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -115.14 158.75 21.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.597 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -96.6 141.86 29.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.672 0.273 . . . . 10.0 110.654 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -72.69 143.67 48.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -58.44 144.77 40.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.15 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -132.16 78.5 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.515 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.325 -179.543 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.84 122.75 42.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.187 -0.605 . . . . 10.0 110.373 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.14 129.51 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.7 129.48 7.88 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.401 -1.08 . . . . 10.0 110.401 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 55.2 m -122.04 124.43 43.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.206 1.003 . . . . 10.0 110.826 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.463 HG12 ' CZ ' ' A' ' 50' ' ' ARG . 31.0 mt -125.08 129.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.246 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -121.69 126.59 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.856 HD12 ' HB2' ' A' ' 42' ' ' LYS . 5.5 pt . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 120.986 0.422 . . . . 10.0 110.181 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 m80 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.685 0.279 . . . . 10.0 110.543 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.2 tt -95.5 138.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -95.39 111.0 22.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.025 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.44 153.36 23.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.116 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -116.87 133.34 56.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.928 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 35.9 t -101.12 124.25 54.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.446 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.98 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.907 0.384 . . . . 10.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.8 156.73 23.21 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.787 -0.721 . . . . 10.0 111.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -72.8 -32.91 65.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.607 0.241 . . . . 10.0 111.187 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.36 -15.46 37.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.354 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.88 -10.29 15.72 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.37 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 p -56.87 129.98 43.81 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.026 0.413 . . . . 10.0 110.723 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.43 124.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.531 0.682 . . . . 10.0 110.719 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 99.2 t -120.61 127.76 75.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.83 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -93.52 124.86 37.8 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.02 122.42 45.2 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.127 0.489 . . . . 10.0 111.758 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -102.43 109.5 21.16 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD12 HD11 ' B' ' 202' ' ' ILE . 7.1 tt -142.22 159.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.866 -178.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.553 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 24.3 mttp -93.52 170.57 9.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.907 0.384 . . . . 10.0 110.19 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -68.93 -32.61 72.34 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -91.28 -6.63 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 3.6 m -77.32 123.05 86.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.518 0.199 . . . . 10.0 111.503 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.87 145.64 98.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.681 2.254 . . . . 10.0 112.689 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.81 -5.1 49.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.32 -47.68 84.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.479 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.432 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -70.49 -28.52 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.251 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.39 -45.62 90.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.595 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 72.0 mtm -68.72 -41.7 78.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.032 0.444 . . . . 10.0 110.606 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.29 -46.75 69.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 10.0 112.447 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' ARG . . . -54.2 -48.93 70.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 10.0 111.609 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 85.2 t80 -67.82 -40.59 83.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.884 0.373 . . . . 10.0 110.583 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.1 t -63.52 -43.35 97.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.652 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.41 -37.29 85.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 86.0 mtt180 -69.14 -23.18 63.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.163 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 8.8 mm100 -85.49 -15.38 43.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.182 0.515 . . . . 10.0 109.751 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.68 40.66 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.631 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.2 mt -130.76 172.87 11.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.926 0.393 . . . . 10.0 110.943 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 t -90.1 144.18 26.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.385 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.2 ttp -64.06 -15.46 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 10.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 56' ' ' ARG . 27.0 ttt85 -82.76 -15.68 50.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.671 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -83.56 -34.22 25.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.64 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.45 168.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.06 0.457 . . . . 10.0 111.57 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -131.7 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.792 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.92 126.99 45.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.384 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -125.73 144.64 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.297 0.57 . . . . 10.0 111.61 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.9 t80 -132.02 123.98 28.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.459 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 64.61 19.47 11.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.608 0.718 . . . . 10.0 110.36 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.87 -10.12 70.43 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.663 -0.699 . . . . 10.0 113.03 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.9 143.2 27.11 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.873 0.336 . . . . 10.0 110.64 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.2 140.72 96.15 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.818 2.345 . . . . 10.0 112.121 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.9 mt -81.91 127.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.015 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -71.49 148.77 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.415 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.85 -9.17 58.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 10.0 112.137 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.56 27.12 8.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.116 0.484 . . . . 10.0 111.029 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.44 159.39 15.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.544 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.67 159.97 61.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.141 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.52 -43.09 48.4 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.553 2.168 . . . . 10.0 111.789 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.37 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.321 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -77.33 -30.54 54.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.689 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.93 1.44 57.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.239 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 60.03 36.33 21.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.797 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 86.5 mtp -70.82 145.93 50.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.299 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 7.7 mm-40 -113.59 176.95 4.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -72.34 140.54 48.54 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.2 mt-10 75.71 10.49 3.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.941 0.776 . . . . 10.0 111.062 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -64.53 140.14 58.84 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -105.96 135.79 46.77 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.4 mt -108.65 132.9 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.8 136.73 33.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.916 0.389 . . . . 10.0 111.693 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -118.18 118.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.938 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -116.71 172.74 7.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -117.98 145.99 44.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.661 0.267 . . . . 10.0 110.721 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -79.69 138.17 37.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.064 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -64.93 132.63 49.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.135 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -26.73 62.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 10.0 110.781 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.78 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 24.4 m -118.68 127.41 53.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.896 0.379 . . . . 10.0 111.1 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.7 128.26 50.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.419 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.85 132.29 8.61 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.734 -0.546 . . . . 10.0 111.734 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 48.6 m -119.58 125.09 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.946 0.873 . . . . 10.0 110.512 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 36.8 mt -124.54 129.54 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.944 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.43 129.27 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 34' ' ' ILE . 4.9 pt . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.201 0.524 . . . . 10.0 110.272 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.213 -0.291 . . . . 10.0 110.213 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.413 ' NE2' ' HE3' ' A' ' 35' ' ' LYS . 79.9 m80 -100.82 152.19 20.8 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.7 tt -105.4 123.43 59.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -90.81 107.23 19.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.289 0.566 . . . . 10.0 111.157 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -98.24 161.93 13.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.551 -0.75 . . . . 10.0 109.234 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.2 mttt -128.8 140.59 51.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 10.0 111.581 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.461 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 63.9 t -113.89 125.99 71.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.033 -0.729 . . . . 10.0 109.033 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.69 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.352 . . . . 10.0 110.897 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.76 158.4 52.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.753 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -75.64 -4.73 41.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.8 0.334 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -99.8 -30.31 12.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 10.0 109.928 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -14.96 5.35 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -61.79 137.43 58.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.181 0.515 . . . . 10.0 111.031 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -109.28 127.07 66.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.204 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 5.6 t -119.34 122.5 69.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -98.77 121.59 40.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 3.0 m-85 -103.28 116.32 32.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.371 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -97.05 98.19 9.86 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -134.37 172.61 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.74 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 34' ' ' ILE . 71.3 mttt -101.08 160.88 14.01 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.896 -0.322 . . . . 10.0 110.513 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -65.81 -25.98 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -87.15 -11.64 49.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.293 0.568 . . . . 10.0 110.057 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.495 HG21 HG13 ' B' ' 202' ' ' ILE . 98.5 m -75.89 121.91 85.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.171 -0.922 . . . . 10.0 111.536 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 31.9 Cg_exo -58.64 141.14 97.32 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.924 2.416 . . . . 10.0 112.222 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.5 mt -76.77 -6.33 51.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.664 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.87 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.634 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.51 -27.09 64.89 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 8.5 tt -65.63 -47.01 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.609 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 41' ' ' SER . 51.7 mttt -67.59 -46.3 73.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.344 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.15 74.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.702 0.287 . . . . 10.0 111.606 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 t80 -69.49 -40.03 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.335 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.38 -38.73 90.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.946 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 72.9 mm-40 -62.1 -35.36 78.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.93 0.395 . . . . 10.0 110.662 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -73.76 -23.89 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.634 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.1 mm100 -81.49 -30.62 33.22 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.82 31.69 25.96 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.44 -0.8 . . . . 10.0 112.591 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.7 mt -135.91 171.39 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.915 0.388 . . . . 10.0 111.274 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.5 t -76.12 144.18 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.267 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.2 ttp -69.65 -10.74 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.214 0.531 . . . . 10.0 110.685 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -84.28 -9.82 58.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -88.58 -29.7 19.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 10.0 111.323 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 pt -105.36 167.82 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.379 . . . . 10.0 111.664 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -136.91 133.2 35.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.976 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -104.66 134.3 48.06 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -130.02 139.92 50.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 10.0 111.443 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -132.46 119.82 21.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.848 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 67.07 25.89 9.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.893 0.854 . . . . 10.0 109.741 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.5 2.46 90.62 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.372 -0.831 . . . . 10.0 112.64 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 60.9 mm-40 -114.5 140.34 25.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 122.767 -0.254 . . . . 10.0 110.452 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.7 Cg_exo -67.76 141.29 53.88 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.54 2.16 . . . . 10.0 111.93 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.92 142.83 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.783 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.12 170.29 8.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.812 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -84.76 21.11 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.811 0.339 . . . . 10.0 111.281 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 p -129.42 15.17 6.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.129 0.49 . . . . 10.0 110.67 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -104.43 151.68 23.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.501 . . . . 10.0 111.912 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 159.21 73.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.581 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.84 -39.29 88.16 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.36 2.04 . . . . 10.0 112.07 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.87 -10.4 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.387 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -95.38 -31.67 13.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 10.0 110.301 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.97 6.5 48.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.267 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 57.8 43.45 21.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.298 0.571 . . . . 10.0 111.202 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.8 mtp -83.66 147.4 27.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.289 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 2.1 tm-20 -120.83 -177.48 3.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.711 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -68.03 144.07 55.27 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.119 -0.232 . . . . 10.0 110.579 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 10.9 mt-10 72.15 12.83 5.85 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.884 0.74 . . . . 10.0 111.535 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.42 123.75 21.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.5 m -94.8 136.95 34.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.126 0.489 . . . . 10.0 112.094 -178.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.1 mt -112.3 136.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.186 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.16 137.37 32.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.769 0.319 . . . . 10.0 110.793 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.6 t -121.27 114.33 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -113.0 179.92 3.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.758 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.08 150.94 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.83 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.82 147.29 28.44 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.408 -0.589 . . . . 10.0 109.408 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -71.03 129.83 39.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 p -86.6 12.52 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.356 -0.383 . . . . 10.0 111.581 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.0 -179.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 m -117.83 123.86 46.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.436 0.636 . . . . 10.0 111.534 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.09 130.21 51.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.19 -0.914 . . . . 10.0 109.773 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.75 130.93 8.49 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.57 -0.824 . . . . 10.0 111.658 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 124.11 47.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 117.57 0.685 . . . . 10.0 110.089 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 12.5 mt -124.61 130.15 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.477 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -120.57 128.58 76.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.495 HG13 HG21 ' A' ' 38' ' ' THR . 6.5 pt -121.18 133.27 68.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.04 0.448 . . . . 10.0 109.879 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.446 ' HB2' HG23 ' A' ' 38' ' ' THR . 7.8 t70 -115.26 132.38 56.63 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.624 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.314 -179.633 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.231 0 N-CA-C 110.413 -0.217 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -110.58 116.33 31.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.054 0.454 . . . . 10.0 110.592 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.3 tt -94.79 137.69 22.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.403 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -110.14 103.85 12.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.902 0.382 . . . . 10.0 110.637 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.92 155.28 19.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.638 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -116.56 113.67 23.07 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -100.23 106.15 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.53 132.43 52.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.57 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.9 168.07 29.93 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.952 -0.859 . . . . 10.0 110.952 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -74.86 -12.72 60.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.031 0.443 . . . . 10.0 111.04 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.26 -30.59 38.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.581 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.89 -10.5 7.47 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.737 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -78.56 136.52 37.55 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.812 0.306 . . . . 10.0 110.26 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.19 129.29 74.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.064 0.459 . . . . 10.0 110.233 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 120.04 61.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.562 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -76.57 123.91 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.686 -0.857 . . . . 10.0 108.686 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CZ ' HG21 ' B' ' 200' ' ' ILE . 0.7 OUTLIER -102.08 107.01 17.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.238 0.459 . . . . 10.0 112.238 -178.102 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HZ2' HG21 ' B' ' 201' ' ' VAL . 37.8 tttm -87.85 99.76 12.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.989 -1.115 . . . . 10.0 107.989 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.21 166.49 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.656 -179.181 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 34' ' ' ILE . 48.2 mttt -99.08 156.8 16.75 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -64.52 -20.59 66.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.577 0.227 . . . . 10.0 111.475 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -91.99 -6.85 50.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.092 0.473 . . . . 10.0 110.598 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.501 HG23 ' HB2' ' B' ' 204' ' ' ASP . 42.4 m -79.39 123.74 84.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.259 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.811 ' HA ' HG22 ' A' ' 72' ' ' THR . 31.8 Cg_exo -59.73 150.97 73.8 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.998 2.465 . . . . 10.0 113.019 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.99 -3.14 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.271 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 p -60.7 -48.48 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 110.276 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -67.52 -28.24 67.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.213 179.182 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 3.6 tt -64.61 -42.77 95.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.383 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.2 mtm -76.92 -24.0 52.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.699 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -92.09 -41.05 10.71 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.026 0.441 . . . . 10.0 111.339 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -65.53 -35.21 80.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.446 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.41 -40.12 93.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.971 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.43 -28.27 68.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.946 0.403 . . . . 10.0 110.555 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' B' ' 200' ' ' ILE . 33.1 mtt180 -70.27 -44.18 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.73 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.5 -22.63 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.792 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.69 51.15 5.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.478 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.0 mt -136.32 179.64 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.98 145.5 25.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.4 ttp -63.26 -19.81 64.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.786 0.327 . . . . 10.0 111.553 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -88.03 -3.43 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.836 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -93.46 -24.05 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 10.0 110.666 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 pt -116.95 157.75 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -128.83 142.91 50.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.512 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -115.36 142.58 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.463 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -131.54 147.16 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.074 0.464 . . . . 10.0 111.455 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 70.1 t80 -145.41 120.8 10.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.323 -0.853 . . . . 10.0 108.94 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 63.14 24.21 14.3 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.626 0.727 . . . . 10.0 110.337 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.1 -3.47 87.06 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.656 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -106.18 152.01 40.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.18 152.51 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.353 2.035 . . . . 10.0 111.419 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.9 mt -100.07 130.3 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.001 0.429 . . . . 10.0 110.629 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -101.4 162.24 13.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.87 22.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.2 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.63 17.0 6.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.473 -0.33 . . . . 10.0 111.521 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -119.95 163.65 17.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.124 0.488 . . . . 10.0 112.032 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.811 HG22 ' HA ' ' A' ' 39' ' ' PRO . 65.2 p -136.87 165.2 36.87 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.945 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -56.84 -39.34 92.08 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.093 1.862 . . . . 10.0 111.195 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.89 -32.04 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.037 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.444 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.3 tp60 -73.22 -32.3 64.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.38 . . . . 10.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.35 -2.56 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 58.57 49.07 10.96 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.229 0.538 . . . . 10.0 110.399 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.471 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 85.9 mtp -79.95 156.52 27.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.332 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 0.6 OUTLIER -116.44 175.72 5.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.893 -179.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.04 143.61 55.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.811 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.32 16.67 9.29 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.682 0.614 . . . . 10.0 111.934 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.77 128.45 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -92.27 130.33 37.99 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.241 0.543 . . . . 10.0 112.292 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.404 HD13 HD21 ' A' ' 43' ' ' LEU . 14.5 mt -102.77 134.69 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.167 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.63 139.7 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.82 0.343 . . . . 10.0 111.618 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.8 t -123.87 124.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -128.79 171.16 12.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.226 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -106.44 154.08 21.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 10.0 110.309 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -81.75 137.08 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.6 111.78 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.205 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.28 63.37 7.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.986 -0.626 . . . . 10.0 112.352 -179.678 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.44 123.26 44.77 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.586 0.708 . . . . 10.0 110.582 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.17 128.14 47.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.658 -1.156 . . . . 10.0 109.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.57 132.84 9.19 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.695 -0.764 . . . . 10.0 111.769 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 64.0 m -117.98 123.11 44.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.392 0.596 . . . . 10.0 110.188 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.543 HG21 ' CZ ' ' A' ' 32' ' ' PHE . 1.0 OUTLIER -124.46 130.88 73.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.171 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . 0.408 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -122.22 126.35 74.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.636 -0.425 . . . . 10.0 110.895 177.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.426 HG13 HG21 ' A' ' 38' ' ' THR . 11.4 pt -123.69 126.03 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 176.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.501 ' HB2' HG23 ' A' ' 38' ' ' THR . 9.6 t70 -118.12 123.88 46.67 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.483 0.659 . . . . 10.0 111.145 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.055 0.455 . . . . 10.0 110.891 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 110.005 -0.368 . . . . 10.0 110.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -132.02 120.96 23.13 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.914 0.388 . . . . 10.0 110.082 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.45 136.67 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.836 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -111.08 113.66 26.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 10.0 110.978 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.3 mt -101.61 164.21 11.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.689 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -128.67 104.19 7.51 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.641 0.257 . . . . 10.0 110.972 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.04 130.85 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.45 142.49 48.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.177 0.513 . . . . 10.0 112.261 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.01 166.0 13.36 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.563 -1.015 . . . . 10.0 110.563 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.67 -2.21 22.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.274 0.537 . . . . 10.0 111.907 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -96.17 -30.04 13.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.804 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.55 -11.29 7.54 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.29 -0.957 . . . . 10.0 112.954 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 p -64.19 149.74 47.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.831 0.316 . . . . 10.0 110.189 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.14 126.94 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 10.0 110.242 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.54 HG12 ' HB ' ' B' ' 200' ' ' ILE . 2.2 t -118.06 115.66 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.209 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -67.71 122.19 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.397 -0.819 . . . . 10.0 108.809 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -102.47 100.7 10.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -178.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HZ2' HG21 ' B' ' 201' ' ' VAL . 36.1 tttm -92.18 104.72 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.81 173.46 11.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.09 -0.707 . . . . 10.0 109.09 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 34' ' ' ILE . 42.4 mttp -97.1 172.6 7.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.56 -16.57 60.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.051 -0.405 . . . . 10.0 111.722 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -105.43 8.44 33.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.993 0.425 . . . . 10.0 110.947 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.487 HG21 HG13 ' B' ' 202' ' ' ILE . 4.4 m -84.85 123.15 74.28 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.775 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 23.7 Cg_exo -62.86 148.6 93.25 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.556 2.171 . . . . 10.0 112.202 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 94.6 mt -80.54 -1.58 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.346 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -47.15 85.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.988 0.423 . . . . 10.0 110.23 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -67.1 -28.46 68.19 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.104 179.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -61.95 -42.41 99.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.748 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.9 mtm -74.74 -41.48 60.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.463 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -71.42 -42.81 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.08 89.08 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.678 0.275 . . . . 10.0 111.117 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.29 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.12 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -62.26 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.429 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -68.34 -36.69 79.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.475 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -61.89 -38.57 88.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -85.01 -25.26 27.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.466 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.66 42.39 8.38 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.909 -0.662 . . . . 10.0 112.185 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 mt -125.28 -174.41 3.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.068 0.461 . . . . 10.0 110.721 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 t -106.63 139.07 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.389 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttp -64.36 -17.29 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.043 0.449 . . . . 10.0 111.295 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -84.91 -18.75 33.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 10.0 109.999 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -88.5 -8.5 54.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.982 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.67 168.0 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.023 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -137.73 146.74 44.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.913 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 67' ' ' ILE . 95.1 m-85 -120.45 133.55 55.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.41 . . . . 10.0 110.697 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.33 144.97 51.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.057 0.456 . . . . 10.0 111.099 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 77.2 t80 -141.77 123.75 15.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.476 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 62.2 26.42 15.85 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.618 0.574 . . . . 10.0 111.248 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 -4.82 85.64 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 116.029 -0.532 . . . . 10.0 113.06 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -112.92 144.25 30.7 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.727 0.299 . . . . 10.0 110.672 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.52 133.81 26.92 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.642 2.228 . . . . 10.0 112.174 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.452 HD12 ' HB3' ' A' ' 60' ' ' PHE . 16.8 mt -81.58 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.471 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.39 178.87 5.7 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -87.47 -13.87 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.132 0.491 . . . . 10.0 110.282 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.5 p -105.73 23.48 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.324 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.82 139.18 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.957 0.408 . . . . 10.0 111.507 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.19 158.41 50.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.202 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -42.34 69.75 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.55 2.167 . . . . 10.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.09 59.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.319 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -67.86 -37.41 81.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.214 0.531 . . . . 10.0 110.192 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.14 -2.36 52.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.442 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 54.92 53.06 10.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.865 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 79.9 mtp -82.52 149.5 27.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.24 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -110.4 -171.07 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.76 145.03 36.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 65.24 16.47 10.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.821 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.31 132.48 48.48 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 9.3 m -100.93 123.4 45.07 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.1 mt -94.73 136.14 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 10.0 108.902 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -91.46 125.98 36.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.866 0.365 . . . . 10.0 111.108 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.77 130.09 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.3 162.77 28.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.562 -0.29 . . . . 10.0 110.787 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -97.56 148.58 23.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.381 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -79.97 140.75 36.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -58.14 146.93 31.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.22 -9.76 41.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.229 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.95 125.88 50.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.193 -0.603 . . . . 10.0 110.861 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.75 125.35 46.36 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.118 -0.946 . . . . 10.0 109.026 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.43 133.65 9.33 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -115.77 124.23 50.23 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.54 ' HB ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -122.65 128.5 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.029 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . 0.428 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 2.4 p -125.53 128.78 72.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 O-C-N 122.0 -0.438 . . . . 10.0 111.434 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.487 HG13 HG21 ' A' ' 38' ' ' THR . 9.4 pt -122.21 126.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 108.455 -0.943 . . . . 10.0 108.455 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -119.99 125.81 49.28 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--O 1.237 0.429 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.358 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--O 1.233 0.226 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.423 ' NE2' ' HE2' ' A' ' 35' ' ' LYS . 43.4 m80 -93.88 130.86 39.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.478 . . . . 10.0 111.016 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.9 tt -108.58 131.91 57.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.285 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -98.74 124.68 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.073 0.464 . . . . 10.0 111.176 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 mt -115.31 148.1 39.63 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.181 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -106.95 122.38 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.028 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 59.2 t -88.64 129.78 39.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.29 19.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 10.0 111.413 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.76 150.9 20.56 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.118 -0.563 . . . . 10.0 111.708 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -74.33 -6.05 45.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.785 0.326 . . . . 10.0 111.669 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -102.3 -19.03 15.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.096 0.474 . . . . 10.0 110.541 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.51 -6.05 24.63 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.953 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -73.26 131.27 41.75 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 117.23 0.515 . . . . 10.0 109.612 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -110.17 129.63 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.203 0.525 . . . . 10.0 110.83 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 93.7 t -118.8 126.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.507 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -92.87 115.49 28.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.388 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.85 116.39 29.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -100.98 96.05 6.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.33 169.05 19.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.414 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HE2' ' NE2' ' A' ' 17' ' ' HIS . 14.0 mtmt -95.11 154.83 16.99 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.185 -0.302 . . . . 10.0 110.185 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -65.46 -28.5 69.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.978 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -91.67 9.67 31.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 10.0 111.647 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.4 m -102.08 123.6 42.91 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.735 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.471 ' HA ' HG22 ' A' ' 72' ' ' THR . 51.2 Cg_exo -54.65 145.7 58.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.248 2.632 . . . . 10.0 112.836 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.4 -1.59 27.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.122 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.99 -44.4 91.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.09 -29.46 62.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.306 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD21 HD13 ' A' ' 84' ' ' ILE . 1.5 tt -63.05 -40.01 96.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.059 0.457 . . . . 10.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.2 mtm -75.97 -38.98 56.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.421 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.04 -51.36 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.116 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.95 79.58 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.064 0.459 . . . . 10.0 110.496 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 55' ' ' MET . 8.0 t -71.52 -29.28 64.61 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -63.57 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.448 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.454 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.6 -30.99 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.02 27.55 37.12 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.793 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.4 mt -137.17 170.76 15.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.705 0.288 . . . . 10.0 110.875 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.39 138.68 41.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.342 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.501 ' HA ' ' SG ' ' A' ' 48' ' ' CYS . 40.3 ttp -65.5 -20.74 66.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.075 0.464 . . . . 10.0 110.809 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -77.52 -12.48 59.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.972 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -80.15 -29.25 38.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 10.0 111.021 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.7 pt -113.07 171.22 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.368 . . . . 10.0 111.468 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -130.97 146.86 52.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.059 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -117.85 131.48 56.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.309 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -126.67 151.28 48.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.236 0.541 . . . . 10.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 69.6 t80 -148.63 124.92 10.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.173 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t0 64.92 21.93 12.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.533 0.682 . . . . 10.0 109.805 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.65 -7.85 80.82 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.514 -0.766 . . . . 10.0 112.817 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 59.9 mm-40 -106.08 147.24 34.47 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 122.603 -0.351 . . . . 10.0 110.89 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 7.6 Cg_exo -72.26 130.7 16.71 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.757 2.305 . . . . 10.0 112.458 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mt -77.85 137.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -105.17 165.2 11.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -70.29 -12.26 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.76 20.19 19.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.347 . . . . 10.0 111.385 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -96.66 146.04 25.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.144 0.497 . . . . 10.0 111.344 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 39' ' ' PRO . 0.7 OUTLIER -129.11 157.42 76.01 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.893 179.048 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.83 -41.93 70.18 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.315 2.01 . . . . 10.0 111.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.13 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.702 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -78.54 -39.19 38.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 10.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.1 mt -91.98 8.24 38.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.883 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 55.28 45.4 25.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.391 0.615 . . . . 10.0 110.567 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.543 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 58.8 mtp -78.77 155.69 29.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.384 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.89 176.16 8.94 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.247 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.4 t70 -65.72 145.75 55.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.85 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 20.7 mt-10 73.27 17.96 3.85 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.89 0.743 . . . . 10.0 111.78 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 153.01 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 m -110.79 124.56 52.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.341 0.591 . . . . 10.0 112.09 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.419 HD13 HD21 ' A' ' 43' ' ' LEU . 12.8 mt -99.36 121.03 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.759 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.31 124.56 35.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.21 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.27 128.01 68.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.057 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -125.98 179.15 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.374 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -118.12 161.71 19.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.742 0.306 . . . . 10.0 110.619 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -94.32 138.56 32.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.346 -0.388 . . . . 10.0 109.954 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.13 124.22 19.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.239 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -3.09 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.311 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.531 0 C-N-CA 120.885 -0.674 . . . . 10.0 111.872 179.694 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.1 m -117.5 123.24 45.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.45 0.643 . . . . 10.0 111.538 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.63 128.48 46.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.026 -0.988 . . . . 10.0 110.09 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.36 131.46 8.14 Favored Glycine 0 C--O 1.22 -0.746 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.412 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.18 124.27 46.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.056 0.928 . . . . 10.0 110.001 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 18.9 mt -126.6 130.27 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.692 -0.231 . . . . 10.0 111.059 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.79 131.25 73.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 122.176 -0.328 . . . . 10.0 110.154 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 13.7 pt -120.51 128.21 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.476 -0.489 . . . . 10.0 110.339 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -129.51 130.7 46.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.354 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.744 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.618 0.247 . . . . 10.0 110.59 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 63.3 m80 -119.72 135.95 54.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.457 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 tt -96.65 124.22 49.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.806 -0.812 . . . . 10.0 108.806 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -92.48 121.57 34.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.034 0.445 . . . . 10.0 110.717 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -115.0 143.63 44.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -103.81 126.97 51.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 10.0 111.379 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.7 t -90.13 121.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.189 -0.671 . . . . 10.0 109.189 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.81 98.45 10.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.754 0.312 . . . . 10.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.24 148.94 28.7 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.911 -0.876 . . . . 10.0 110.911 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -67.3 -13.53 62.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.995 0.426 . . . . 10.0 111.413 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -88.85 -12.77 40.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.745 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.15 -4.3 44.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.458 -0.877 . . . . 10.0 114.121 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 p -74.7 160.62 30.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 117.636 0.718 . . . . 10.0 111.065 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.57 130.56 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.236 0.541 . . . . 10.0 111.049 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 27.9 t -118.06 121.99 68.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.883 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -87.82 107.84 18.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.793 -0.64 . . . . 10.0 109.653 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.2 m-85 -94.18 109.28 21.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -94.73 99.22 11.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.306 -0.998 . . . . 10.0 108.306 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.14 162.53 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.358 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 34' ' ' ILE . 65.2 mttt -88.85 167.36 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.716 0.293 . . . . 10.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -73.8 -18.96 60.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -92.0 -20.7 21.07 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.733 -0.387 . . . . 10.0 111.474 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.51 120.67 64.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.285 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.485 ' HA ' HG22 ' A' ' 72' ' ' THR . 39.1 Cg_exo -59.62 142.34 98.66 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.683 2.255 . . . . 10.0 111.554 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.23 -4.99 24.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.782 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.29 -33.36 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -66.91 -38.52 86.38 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.415 -0.812 . . . . 10.0 109.182 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.68 -27.13 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.042 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 55' ' ' MET . 77.5 mtm -85.11 -5.53 59.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.139 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -117.22 -34.88 4.2 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.76 -59.24 4.87 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.924 0.712 . . . . 10.0 112.924 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -69.68 -30.92 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.008 0.432 . . . . 10.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.77 -42.81 98.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.362 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.31 -30.67 68.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.325 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -68.48 -40.17 81.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 10.0 110.034 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -79.82 -20.12 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 10.0 110.33 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.69 31.91 48.01 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.582 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.5 mt -107.4 175.53 5.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.529 . . . . 10.0 110.999 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -94.36 142.52 27.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.03 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 44' ' ' MET . 7.8 ttp -69.64 -14.84 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 10.0 109.855 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.34 -12.67 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.735 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -82.44 -32.77 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.628 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 pt -110.01 168.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.399 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -133.86 142.95 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.804 -0.634 . . . . 10.0 109.92 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -116.8 125.31 51.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.574 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' A' ' 66' ' ' PRO . 79.7 mtt180 -122.86 146.28 47.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.45 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 9.4 t80 -137.9 113.2 9.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.696 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 60.9 40.8 15.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.902 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.9 -40.74 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.723 . . . . 10.0 113.473 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.6 mm-40 -89.42 133.62 34.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.986 0.393 . . . . 10.0 111.354 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HA ' ' HA ' ' A' ' 61' ' ' ARG . 24.4 Cg_exo -64.08 149.96 89.33 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.968 2.445 . . . . 10.0 112.119 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.9 mt -88.37 129.13 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.828 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -89.87 163.06 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -83.16 22.95 0.92 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.59 29.3 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.768 0.318 . . . . 10.0 111.6 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -126.68 152.34 46.88 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 111.59 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 39' ' ' PRO . 7.7 p -119.02 164.95 18.43 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.929 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.714 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 47.8 Cg_exo -57.52 -38.18 94.79 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.435 2.09 . . . . 10.0 111.864 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.5 -33.85 67.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.561 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -64.03 -36.21 83.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.48 0.45 56.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.124 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 55.99 51.16 12.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.126 0.488 . . . . 10.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.714 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 38.4 mtp -82.61 156.15 24.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.183 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -110.99 172.9 6.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.37 145.72 37.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 62.65 38.23 12.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.28 -177.67 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.63 . . . . 10.0 109.422 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -125.44 138.98 54.02 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.36 129.85 70.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.347 -0.842 . . . . 10.0 109.227 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.25 128.69 39.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 10.0 111.345 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.93 112.62 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.389 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -113.99 173.81 6.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.399 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -118.06 144.85 45.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.435 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -73.05 143.04 47.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.16 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -60.34 126.89 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.366 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.4 3.64 54.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.342 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 121.058 -0.592 . . . . 10.0 111.99 179.689 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 6.7 m -118.13 125.64 50.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.347 0.594 . . . . 10.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.38 128.79 51.4 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.462 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.55 131.49 8.58 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.817 -0.913 . . . . 10.0 110.817 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.7 m -117.76 123.68 46.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.815 0.807 . . . . 10.0 110.257 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.518 HD12 ' CE1' ' A' ' 32' ' ' PHE . 22.6 mt -125.47 131.35 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.083 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.0 p -122.74 126.69 74.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -123.33 131.14 73.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 112.301 0.482 . . . . 10.0 112.301 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -122.78 134.96 54.41 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 114.908 -1.042 . . . . 10.0 110.41 -179.549 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.808 0.337 . . . . 10.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -89.28 154.34 20.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.3 tt -128.58 138.77 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 55.0 m-80 -103.6 130.86 51.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.991 0.425 . . . . 10.0 111.13 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.9 mt -116.58 163.81 15.53 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 83' ' ' THR . 98.5 mttt -118.54 135.18 54.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.389 0.614 . . . . 10.0 112.23 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.57 117.7 52.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.366 -0.975 . . . . 10.0 108.366 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.22 122.81 48.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.481 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.65 170.58 54.23 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.703 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -72.97 -13.5 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 10.0 111.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.57 -10.8 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.037 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.7 -4.49 36.8 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.989 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -69.42 143.0 53.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.514 -0.551 . . . . 10.0 109.514 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -127.1 130.0 71.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.813 0.339 . . . . 10.0 110.725 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -115.57 123.34 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.183 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -80.94 115.02 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -93.5 107.93 19.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.842 -178.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.13 102.81 14.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.74 171.84 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.598 -178.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 34' ' ' ILE . 32.1 mttp -94.03 159.68 15.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -71.74 -7.36 47.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.744 0.276 . . . . 10.0 111.744 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -101.86 -5.48 24.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 10.0 110.693 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.3 m -78.69 119.45 77.33 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.981 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.99 150.96 81.51 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.825 2.35 . . . . 10.0 111.816 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 35.3 mt -71.67 -8.97 57.39 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -64.27 -35.23 80.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.528 0.68 . . . . 10.0 109.733 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.636 ' HB3' HD12 ' B' ' 202' ' ' ILE . 14.2 tttp -64.41 -43.33 94.73 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.01 -0.995 . . . . 10.0 110.218 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HG ' ' CZ ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -57.55 -43.85 84.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.031 179.605 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 50.0 ttm -65.37 -41.33 93.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.213 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -82.33 -41.61 19.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.813 0.672 . . . . 10.0 112.813 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -72.44 -27.97 62.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.816 0.341 . . . . 10.0 110.495 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 58' ' ' ILE . 6.4 t -62.3 -37.63 86.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.581 -0.525 . . . . 10.0 109.581 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -68.43 -31.97 71.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.602 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -68.38 -25.56 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.673 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -97.45 -19.73 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.48 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.1 46.27 59.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.44 -179.78 5.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.629 0.252 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -93.14 144.95 24.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.057 0.456 . . . . 10.0 110.705 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.8 -16.4 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.628 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt85 -92.08 2.09 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -107.2 -29.82 9.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.94 0.4 . . . . 10.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.532 HD11 ' SG ' ' A' ' 48' ' ' CYS . 9.1 pt -110.71 137.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.72 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -116.73 144.94 43.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.404 ' CE1' ' HG3' ' A' ' 44' ' ' MET . 94.5 m-85 -119.37 140.12 50.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.834 0.35 . . . . 10.0 110.779 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.2 145.4 51.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 10.0 111.963 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -142.44 134.44 27.25 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.926 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 59.92 27.57 16.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 10.0 110.633 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.85 8.3 87.3 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.757 -0.656 . . . . 10.0 113.201 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -124.1 149.65 61.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.986 0.393 . . . . 10.0 111.098 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.34 136.87 38.33 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.512 2.141 . . . . 10.0 111.485 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.9 mt -85.26 129.7 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.843 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -88.3 164.6 15.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -78.66 -6.22 55.14 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -111.01 11.61 22.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.58 0.705 . . . . 10.0 110.462 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 11.4 m-20 -83.16 141.77 31.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 151.09 56.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 51.7 Cg_exo -53.98 -45.51 40.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.785 2.324 . . . . 10.0 112.61 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.76 -17.81 61.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.344 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -83.64 -34.12 25.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 10.0 110.653 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt -92.08 9.75 32.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 55.77 48.97 17.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 91.7 mtp -82.91 153.43 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.759 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.25 -160.47 1.14 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.2 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.21 156.67 37.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.582 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 62.03 25.87 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 10.0 112.093 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.22 126.92 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 4.5 m -114.89 128.05 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.92 -178.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.91 131.42 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.873 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.11 138.83 32.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.565 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -111.73 132.51 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.79 167.39 18.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.612 -0.514 . . . . 10.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -123.55 147.7 47.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.754 0.311 . . . . 10.0 110.777 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -69.21 154.49 41.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -72.84 141.25 47.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.371 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -27.44 61.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.92 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 C-N-CA 120.886 -0.673 . . . . 10.0 111.704 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.237 0.423 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.05 120.69 38.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.604 -0.838 . . . . 10.0 110.825 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.35 127.19 43.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.117 -0.947 . . . . 10.0 109.094 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.02 131.22 8.34 Favored Glycine 0 N--CA 1.437 -1.239 0 C-N-CA 120.352 -0.927 . . . . 10.0 110.79 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.72 122.97 44.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.686 0.743 . . . . 10.0 109.018 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 15.6 tt -125.13 127.89 72.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.484 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.7 p -122.74 128.4 75.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.468 -0.493 . . . . 10.0 110.623 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 42' ' ' LYS . 16.0 pt -122.66 131.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 10.0 110.205 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -114.45 132.63 56.19 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.582 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 114.952 -1.022 . . . . 10.0 110.725 -179.04 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--O 1.232 0.169 0 N-CA-C 110.358 -0.238 . . . . 10.0 110.358 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -106.94 158.29 17.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 34' ' ' ILE . 17.7 tt -107.76 136.81 41.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -98.5 108.92 21.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.71 0.291 . . . . 10.0 110.692 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.9 mt -101.59 133.49 46.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.164 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.94 115.41 28.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 10.0 111.391 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 69.9 t -99.36 112.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.86 121.44 43.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.925 0.393 . . . . 10.0 111.885 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.9 37.09 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.572 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -80.09 -5.34 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 10.0 110.898 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -95.9 -14.73 22.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.07 -6.71 32.6 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.695 -0.764 . . . . 10.0 113.475 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.9 p -80.97 135.73 35.91 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 117.475 0.638 . . . . 10.0 110.084 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.56 135.81 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.061 0.458 . . . . 10.0 110.472 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 53.1 t -115.54 127.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.089 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -91.32 104.3 16.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.42 116.17 27.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.979 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -101.22 100.22 10.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -137.02 170.28 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.792 -178.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 34' ' ' ILE . 24.5 mttp -99.77 160.85 13.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.982 -0.377 . . . . 10.0 109.982 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 mtp85 -63.52 -24.98 68.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -91.28 3.72 54.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.481 . . . . 10.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.47 HG21 HG13 ' B' ' 202' ' ' ILE . 20.5 m -93.51 117.99 67.45 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.943 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.06 140.86 80.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.125 2.55 . . . . 10.0 112.99 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -74.97 -5.3 43.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.663 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.95 96.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.487 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.786 ' HB2' HD12 ' B' ' 202' ' ' ILE . 1.4 mtpp -67.34 -34.64 77.76 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.7 -43.82 97.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.609 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 73.2 mtm -69.53 -44.93 69.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.697 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 52.2 mtmt -66.32 -50.52 63.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 10.0 112.071 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.38 76.66 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.524 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 83.0 t80 -63.08 -43.11 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.607 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.51 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 10.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 53.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.795 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' B' ' 200' ' ' ILE . 52.3 mtt180 -69.6 -34.11 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.532 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 11.5 mm100 -76.6 -33.5 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.039 0.447 . . . . 10.0 109.849 179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.25 11.92 43.82 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.742 -0.663 . . . . 10.0 112.7 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.3 mt -114.62 162.27 16.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.952 0.406 . . . . 10.0 110.903 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -77.48 155.84 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.471 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 31.4 ttp -70.85 -9.98 58.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -89.73 -7.42 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.245 0.545 . . . . 10.0 110.042 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -100.43 -34.74 9.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.4 mt -99.85 129.17 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 59' ' ' ARG . 25.6 mmt180 -105.54 141.26 37.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.294 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -123.32 133.36 54.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.869 0.366 . . . . 10.0 111.004 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -130.02 141.6 50.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.783 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -139.13 130.38 26.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.465 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t0 68.28 10.34 7.78 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.632 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.48 -29.94 9.02 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.666 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -102.72 154.54 37.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.7 -0.294 . . . . 10.0 111.246 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.71 155.98 64.67 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.712 2.274 . . . . 10.0 112.143 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.8 mt -94.58 138.72 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.894 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -90.38 172.7 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.72 -8.27 59.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.711 0.291 . . . . 10.0 111.294 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.96 30.05 7.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.144 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -99.65 135.62 40.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 10.0 111.489 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.6 157.19 50.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.707 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.04 -28.44 87.04 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.426 2.084 . . . . 10.0 111.631 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.81 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.568 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -76.28 -47.27 24.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.134 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.4 mt -87.32 -2.73 58.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.512 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 77' ' ' GLU . 5.0 mm-40 53.28 63.21 2.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.87 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.9 mtp -82.2 153.05 26.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.268 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 64.9 mm-40 -107.5 166.93 10.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.651 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.09 140.24 56.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 70.95 16.38 6.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.581 . . . . 10.0 111.638 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -65.84 148.22 52.13 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.85 131.28 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 -177.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 mt -104.42 138.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.273 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 132.05 39.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.894 0.378 . . . . 10.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 125.05 66.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.334 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -126.76 165.6 18.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.809 0.338 . . . . 10.0 110.643 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -110.55 138.3 47.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.269 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -66.78 146.26 54.63 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -67.35 142.2 56.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.347 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 -45.98 12.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.208 0.528 . . . . 10.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.809 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.409 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -117.17 123.81 47.61 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 121.392 0.615 . . . . 10.0 109.848 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.63 131.75 52.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.529 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.95 130.97 8.25 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.589 -1.005 . . . . 10.0 110.589 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 17.9 m -119.08 124.59 47.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.269 1.034 . . . . 10.0 110.375 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.412 HD11 ' HD2' ' A' ' 50' ' ' ARG . 19.9 mt -125.59 130.03 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.584 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -120.98 128.11 76.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.786 HD12 ' HB2' ' A' ' 42' ' ' LYS . 8.7 pt -120.3 130.47 74.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -121.74 128.46 51.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.378 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.312 -179.141 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.774 0.321 . . . . 10.0 110.535 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 40.6 m80 -81.32 141.27 34.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.19 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 tt -108.84 128.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -99.28 105.68 17.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.111 0.482 . . . . 10.0 110.965 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 mt -95.1 155.91 16.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.981 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -118.53 120.88 38.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.943 0.402 . . . . 10.0 111.276 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 98.9 t -89.78 128.83 41.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.44 110.5 22.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.456 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.21 161.23 39.19 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.814 -0.63 . . . . 10.0 112.2 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -77.26 -3.49 40.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 10.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -108.26 8.42 27.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.61 0.92 83.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.905 -0.664 . . . . 10.0 113.316 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.4 p -73.25 156.49 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.057 0.428 . . . . 10.0 110.743 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.7 p -134.54 133.76 54.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.088 0.471 . . . . 10.0 110.089 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 47' ' ' TYR . 66.8 t -122.84 125.14 71.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -87.02 110.31 19.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.429 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.468 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.3 m-85 -98.47 104.97 17.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.124 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -89.62 99.56 12.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.173 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.64 165.11 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.298 -0.41 . . . . 10.0 109.929 -179.178 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 37.8 mttt -90.55 159.12 16.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -68.24 -20.98 64.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.571 0.224 . . . . 10.0 111.554 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 35' ' ' LYS . 31.6 p80 -94.22 -3.94 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 10.0 110.585 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 27.8 m -81.57 122.86 81.06 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.201 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' THR . 39.9 Cg_exo -58.0 137.9 83.23 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.676 2.251 . . . . 10.0 112.11 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.66 -5.22 36.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.923 0.392 . . . . 10.0 110.935 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.17 -41.73 84.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.67 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.613 ' HB2' HD12 ' B' ' 202' ' ' ILE . 2.0 mtpp -67.96 -35.87 79.11 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.12 0.486 . . . . 10.0 109.814 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.06 -32.34 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.382 -0.827 . . . . 10.0 111.329 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.96 -1.21 57.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.753 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -118.87 -38.44 3.08 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.59 77.66 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.759 0.281 . . . . 10.0 111.759 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CE2' HG21 ' A' ' 30' ' ' VAL . 27.0 t80 -67.35 -37.51 83.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.6 80.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.256 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.04 -34.43 78.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.199 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 89.0 mtt180 -76.8 -34.65 57.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.283 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -77.7 -25.57 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.01 34.18 27.59 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.094 -0.803 . . . . 10.0 111.094 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 mt -120.53 172.47 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 10.0 110.648 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -96.87 144.74 26.53 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.1 ttp -62.67 -26.59 68.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.984 0.421 . . . . 10.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -84.52 -7.29 59.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -86.36 -21.18 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.003 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 pt -123.62 175.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -136.09 138.56 42.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.264 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.44 127.99 54.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.401 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.95 137.86 52.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.948 0.404 . . . . 10.0 111.005 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.428 ' HB2' HD11 ' A' ' 67' ' ' ILE . 92.8 t80 -132.69 128.43 36.95 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.908 -0.775 . . . . 10.0 108.908 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 63.59 16.77 9.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.458 0.647 . . . . 10.0 109.962 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.97 -9.05 70.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.483 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 86.5 mm-40 -106.99 138.73 19.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.579 0.189 . . . . 10.0 111.097 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 22.0 Cg_exo -65.36 131.72 29.12 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.577 2.185 . . . . 10.0 111.972 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 62' ' ' PHE . 28.9 mt -80.22 135.14 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.691 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -88.5 172.63 9.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.26 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -87.49 3.38 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.744 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.4 p -126.77 49.2 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.634 0.235 . . . . 10.0 111.634 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -139.26 149.34 44.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 10.0 111.727 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 39' ' ' PRO . 11.0 p -116.55 164.95 16.38 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.026 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.62 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.4 Cg_exo -60.34 -32.32 93.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.194 1.929 . . . . 10.0 111.452 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -37.34 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.543 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -63.7 -37.6 87.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.062 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -93.63 7.01 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.588 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 52.63 53.28 12.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.187 0.518 . . . . 10.0 110.916 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 76.7 mtp -88.45 145.54 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.378 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -106.59 175.74 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.605 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.47 145.61 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.693 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 66.35 26.68 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.437 -0.801 . . . . 10.0 111.323 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.19 134.46 34.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.28 141.48 28.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.228 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.9 mt -121.72 134.36 65.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -94.32 138.21 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.119 0.485 . . . . 10.0 111.984 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.68 117.26 53.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.596 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -113.51 164.25 13.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.953 0.406 . . . . 10.0 111.421 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -97.4 147.67 23.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.527 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -84.8 148.8 26.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -59.34 115.78 3.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -30.42 70.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.112 0.482 . . . . 10.0 111.068 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 111.634 -0.587 . . . . 10.0 111.634 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.42 122.97 42.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.671 -0.412 . . . . 10.0 110.697 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.91 126.11 43.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.85 131.48 8.27 Favored Glycine 0 C--O 1.223 -0.546 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 37.9 m -119.36 124.62 47.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 118.132 0.966 . . . . 10.0 110.399 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.468 HD12 ' CE1' ' A' ' 32' ' ' PHE . 21.4 mt -127.11 131.09 71.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.052 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.4 128.74 76.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 42' ' ' LYS . 6.2 pt -123.42 131.18 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.872 0.368 . . . . 10.0 110.919 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . 0.426 ' P ' ' HZ2' ' A' ' 35' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.482 ' HB2' HG23 ' A' ' 38' ' ' THR . 5.3 t70 -121.02 130.22 53.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.037 0.446 . . . . 10.0 111.231 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.775 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--O 1.232 0.16 0 N-CA-C 110.268 -0.271 . . . . 10.0 110.268 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -119.59 154.05 34.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.545 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.403 HG23 HG23 ' A' ' 34' ' ' ILE . 14.2 tt -126.52 135.12 64.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.757 -0.46 . . . . 10.0 109.757 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -100.53 113.76 26.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.85 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.5 mt -100.07 161.46 13.59 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 83' ' ' THR . 97.6 mttt -130.64 130.67 44.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.185 0.517 . . . . 10.0 111.336 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -87.76 134.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.917 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.71 96.49 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.89 0.376 . . . . 10.0 110.403 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.2 152.02 26.38 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.182 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -73.49 -9.21 58.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 10.0 111.214 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -98.94 -6.45 28.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.715 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.4 -0.99 60.15 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.11 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 p -67.19 136.27 54.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 10.0 110.719 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -112.35 118.68 58.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.212 0.529 . . . . 10.0 110.174 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 47' ' ' TYR . 62.0 t -119.32 124.28 72.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.732 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -91.27 124.05 35.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CG ' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.71 114.5 28.64 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.472 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -90.36 113.06 24.86 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.58 -1.267 . . . . 10.0 107.58 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.587 HD12 HD11 ' B' ' 202' ' ' ILE . 8.9 tt -139.52 153.6 23.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.03 -177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 46.7 mttp -81.19 156.66 25.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.964 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -100.01 8.16 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.552 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 53.0 m -90.48 126.64 55.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.548 0.213 . . . . 10.0 111.075 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.17 137.54 77.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.056 2.504 . . . . 10.0 112.668 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -70.73 -8.41 52.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.456 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -34.41 71.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -64.34 -38.44 91.03 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-O 121.187 0.518 . . . . 10.0 110.475 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' CG ' ' A' ' 32' ' ' PHE . 1.5 tt -65.14 -35.46 81.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.341 -0.845 . . . . 10.0 110.955 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.7 mtm -73.45 -26.55 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.048 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -90.62 -49.24 6.59 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.191 0.441 . . . . 10.0 112.191 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.52 -54.66 16.78 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.269 0.84 . . . . 10.0 113.269 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CE2' HG21 ' A' ' 30' ' ' VAL . 11.1 t80 -70.73 -32.61 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.691 -0.404 . . . . 10.0 111.107 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.5 t -64.64 -41.17 96.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.044 0.45 . . . . 10.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.63 -37.65 87.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.145 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -68.31 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.3 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -81.67 -12.04 58.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.996 0.427 . . . . 10.0 110.338 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.75 44.64 61.95 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.936 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.1 mt -142.35 171.08 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.729 0.299 . . . . 10.0 110.697 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -89.06 142.75 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.9 ttp -63.7 -17.27 62.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.25 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -74.83 -15.31 60.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.997 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -87.34 -25.67 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.908 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.464 HG22 ' HG2' ' A' ' 88' ' ' GLN . 5.4 pt -104.16 163.47 3.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.113 0.482 . . . . 10.0 112.086 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -135.95 128.46 30.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.448 -0.796 . . . . 10.0 109.521 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' HB3' HD12 ' A' ' 67' ' ' ILE . 66.0 m-85 -102.44 139.18 38.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.84 0.352 . . . . 10.0 111.048 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -133.44 135.45 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.172 0.51 . . . . 10.0 111.097 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 78.9 t80 -136.96 128.36 28.31 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.57 -0.9 . . . . 10.0 108.57 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 t70 65.12 26.46 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.879 0.847 . . . . 10.0 109.544 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.91 5.19 84.16 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.314 -0.857 . . . . 10.0 112.615 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -119.61 145.15 38.43 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.842 -0.211 . . . . 10.0 110.444 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.53 148.79 90.63 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.41 2.074 . . . . 10.0 111.577 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' A' ' 60' ' ' PHE . 14.7 mt -97.38 144.38 10.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.662 -0.245 . . . . 10.0 110.561 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -92.82 -172.17 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -106.64 25.12 11.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.231 0.539 . . . . 10.0 110.136 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.92 24.02 1.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.245 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.36 146.61 31.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.754 0.311 . . . . 10.0 111.389 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p -123.17 160.55 49.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.772 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.61 -36.76 98.3 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.348 2.032 . . . . 10.0 111.864 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.91 69.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.787 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -60.84 -45.76 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.664 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.3 mt -84.58 7.94 18.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.237 0.458 . . . . 10.0 112.237 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 54.32 50.02 17.23 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.165 0.507 . . . . 10.0 111.0 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 74.3 mtp -83.96 142.47 30.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.985 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -108.26 176.38 5.15 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 1.3 t70 -69.24 143.83 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 26.6 mt-10 71.95 13.57 5.96 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.624 0.578 . . . . 10.0 112.058 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.14 106.75 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 10.0 110.004 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.96 134.62 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.483 -0.781 . . . . 10.0 111.732 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.6 mt -112.16 126.51 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.163 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.72 134.15 40.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.426 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -122.18 113.89 40.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.582 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.18 -177.88 3.38 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG2' HG22 ' A' ' 58' ' ' ILE . 48.4 mt-30 -127.91 159.77 33.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.769 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -81.17 152.97 27.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.061 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -69.19 143.0 54.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 10.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.75 30.84 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.285 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.253 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.14 122.99 43.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.158 -0.617 . . . . 10.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.44 41.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.64 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.35 130.06 7.6 Favored Glycine 0 N--CA 1.442 -0.967 0 C-N-CA 120.215 -0.993 . . . . 10.0 111.621 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 4.2 p -121.53 122.69 40.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 117.643 0.721 . . . . 10.0 109.491 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 25.1 mt -125.8 128.88 72.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.22 128.15 75.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.314 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.587 HD11 HD12 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -120.97 124.9 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 121.643 0.735 . . . . 10.0 109.681 178.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -118.41 130.25 55.87 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.236 0.349 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.441 -179.266 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.233 0.192 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' A' ' 35' ' ' LYS . 73.4 m80 -99.18 161.45 13.61 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.134 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.4 tt -121.71 128.36 75.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.074 0.464 . . . . 10.0 109.867 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -91.78 118.47 30.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.051 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.1 mt -115.35 135.49 54.08 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.211 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 83' ' ' THR . 89.0 mttt -106.06 114.54 28.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.936 0.398 . . . . 10.0 111.226 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.495 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 60.1 t -82.14 132.66 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.188 -0.46 . . . . 10.0 109.843 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.15 161.89 16.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.46 143.22 10.24 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -64.56 -27.59 69.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.898 0.38 . . . . 10.0 110.723 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.52 -17.79 40.67 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.136 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.24 0.17 44.11 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.242 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -66.48 129.86 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.277 0.538 . . . . 10.0 110.401 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.53 129.99 57.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 10.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 33.7 t -120.65 118.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.31 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -91.53 105.09 17.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.699 -0.682 . . . . 10.0 109.849 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' B' ' 200' ' ' ILE . 0.8 OUTLIER -90.65 118.83 30.4 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.639 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -108.63 100.3 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.955 -0.758 . . . . 10.0 108.955 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -131.83 161.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.81 -178.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 34' ' ' ILE . 40.2 mttt -77.39 151.9 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.17 -20.86 65.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -93.97 1.09 56.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.343 . . . . 10.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.473 HG23 ' HB2' ' B' ' 204' ' ' ASP . 95.4 m -89.51 124.94 63.04 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.359 -179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.548 ' HA ' HG22 ' A' ' 72' ' ' THR . 48.5 Cg_exo -56.9 143.34 92.01 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.056 2.504 . . . . 10.0 113.001 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.83 -4.64 47.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.352 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -50.15 74.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.567 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -64.31 -29.6 70.67 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.714 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.8 -43.94 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 10.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.82 -38.51 79.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.433 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -70.54 -47.73 58.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.483 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.79 -48.23 75.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 10.0 111.636 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -65.29 -39.11 92.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.016 0.436 . . . . 10.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.1 t -64.34 -43.23 95.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -67.34 -27.3 67.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.722 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -67.95 -38.51 82.89 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.074 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.11 30.03 26.67 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.939 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -114.26 171.33 7.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.574 0.226 . . . . 10.0 110.758 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -86.07 143.31 28.14 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.798 -0.445 . . . . 10.0 109.798 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.5 ttp -64.13 -19.89 65.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 10.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -88.5 -4.29 58.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.043 0.449 . . . . 10.0 110.553 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -89.34 -22.71 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.948 0.404 . . . . 10.0 110.66 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.9 pt -123.17 165.64 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.361 . . . . 10.0 111.231 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -131.23 137.51 48.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -106.31 130.92 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.9 0.381 . . . . 10.0 110.773 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -124.76 142.29 51.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.784 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CE2' ' HG2' ' A' ' 78' ' ' MET . 44.6 t80 -141.21 128.16 20.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 61.85 28.97 17.76 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.499 0.666 . . . . 10.0 110.378 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.03 5.07 89.74 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.647 -0.706 . . . . 10.0 113.352 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 84.1 mm-40 -124.12 149.66 61.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 117.093 0.447 . . . . 10.0 110.96 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 15.0 Cg_exo -68.12 132.8 27.01 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.609 2.206 . . . . 10.0 111.744 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.401 HD11 ' HB2' ' A' ' 62' ' ' PHE . 14.0 mt -80.99 131.62 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.405 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 88.9 m-20 -79.96 169.18 18.24 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.83 25.43 4.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.919 0.39 . . . . 10.0 111.446 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.9 45.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.518 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 9.8 m-20 -130.07 156.71 44.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.178 0.513 . . . . 10.0 111.924 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 39' ' ' PRO . 33.5 p -126.18 162.74 44.24 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.312 -0.858 . . . . 10.0 108.792 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 32.0 Cg_exo -58.8 -32.16 96.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.15 1.9 . . . . 10.0 111.658 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.5 -30.73 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.066 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.436 ' HB3' ' H ' ' A' ' 72' ' ' THR . 58.1 tp60 -70.36 -38.53 74.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.326 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -94.32 7.44 45.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.602 -0.272 . . . . 10.0 111.605 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 52.59 50.99 16.99 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.203 0.525 . . . . 10.0 110.716 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.542 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.4 mtp -84.4 138.64 32.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.033 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -94.06 167.66 11.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.8 141.55 42.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.154 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 70.58 30.43 3.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.537 0.735 . . . . 10.0 112.499 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.78 178.4 8.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 6.5 m -122.86 129.97 52.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.129 0.49 . . . . 10.0 112.318 -178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.2 mt -104.44 130.94 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.614 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.32 139.15 35.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.411 . . . . 10.0 111.88 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.8 t -129.39 124.17 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.104 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.39 164.18 20.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.72 -0.218 . . . . 10.0 110.59 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -90.82 149.02 22.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.91 0.386 . . . . 10.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -82.22 140.45 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.271 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -54.3 117.3 3.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.982 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.79 34.16 2.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.421 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 C-N-CA 120.962 -0.637 . . . . 10.0 111.798 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 120.753 0.311 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.42 128.22 54.41 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 120.969 0.414 . . . . 10.0 110.28 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.56 126.99 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.19 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.77 134.21 9.49 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.452 -0.795 . . . . 10.0 111.66 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.0 m -118.33 126.39 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.944 0.872 . . . . 10.0 110.489 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 18.4 mt -124.54 129.42 73.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.373 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.03 128.36 76.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.465 HD12 ' HD3' ' A' ' 42' ' ' LYS . 6.4 pt -122.23 130.29 74.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 110.075 -0.343 . . . . 10.0 110.075 178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.473 ' HB2' HG23 ' A' ' 38' ' ' THR . 5.9 t70 -124.78 130.02 51.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.948 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.857 -179.561 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.938 0.399 . . . . 10.0 110.654 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -90.4 145.75 24.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.13 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 34' ' ' ILE . 16.5 tt -111.5 139.2 36.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.501 -0.926 . . . . 10.0 108.501 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -100.6 103.84 15.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.922 0.392 . . . . 10.0 110.948 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.8 mt -100.58 154.84 18.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.419 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -112.46 126.3 55.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.964 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -108.32 114.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.95 137.83 36.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.76 -178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.92 163.6 12.95 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.854 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.27 -6.86 42.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.075 0.464 . . . . 10.0 111.404 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -101.62 -5.4 25.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.13 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.6 14.8 49.0 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.514 -0.851 . . . . 10.0 112.848 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 p -85.03 151.34 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 p -129.9 119.65 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.181 0.515 . . . . 10.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -113.97 122.12 67.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.525 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.45 118.0 24.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.403 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -100.43 111.52 23.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.501 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.74 101.45 13.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.014 -1.106 . . . . 10.0 108.014 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.7 HD12 HD11 ' B' ' 202' ' ' ILE . 3.3 tt -134.55 152.18 33.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.954 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -79.16 148.71 32.22 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 36' ' ' ARG . 39.9 mtp85 -68.2 -7.13 27.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.603 0.594 . . . . 10.0 112.603 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -108.0 -1.38 20.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.953 0.406 . . . . 10.0 111.029 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.42 HG23 ' HB2' ' B' ' 204' ' ' ASP . 99.3 m -85.98 127.76 60.78 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.883 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.667 ' HA ' HG22 ' A' ' 72' ' ' THR . 51.1 Cg_exo -55.46 137.37 77.4 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.038 2.492 . . . . 10.0 112.669 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -72.27 -4.27 28.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.676 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -33.49 71.14 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.844 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.867 ' HB2' HD12 ' B' ' 202' ' ' ILE . 16.1 mtpp -73.35 -35.34 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 10.0 109.576 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.41 -20.62 65.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 40.9 mtm -97.86 12.53 33.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.848 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -135.3 -38.34 0.76 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.96 -50.23 71.36 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.373 0.509 . . . . 10.0 112.373 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -68.81 -34.05 74.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 10.0 110.078 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.617 ' SG ' HD11 ' A' ' 58' ' ' ILE . 37.3 m -62.68 -43.88 97.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.542 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -61.16 -43.35 99.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -68.12 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.153 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -79.25 -26.53 42.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.976 0.417 . . . . 10.0 110.271 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.93 25.8 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.629 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.06 154.17 41.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 10.0 110.605 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 t -85.61 150.76 24.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.881 -0.6 . . . . 10.0 109.761 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.7 ttp -62.57 -18.05 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 10.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 56' ' ' ARG . 7.2 tpt180 -76.65 -22.08 54.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -86.85 -33.77 19.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.617 HD11 ' SG ' ' A' ' 48' ' ' CYS . 8.9 pt -108.27 169.99 2.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.857 0.36 . . . . 10.0 111.49 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.0 142.73 49.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.412 ' HB3' HD12 ' A' ' 67' ' ' ILE . 88.7 m-85 -112.94 135.32 53.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -136.11 145.78 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.23 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -141.19 127.03 19.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.599 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 61.26 23.11 13.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.239 0.542 . . . . 10.0 111.058 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.11 -2.74 81.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.86 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 41.4 mm-40 -110.17 139.89 21.86 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 122.774 -0.251 . . . . 10.0 110.768 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 11.7 Cg_exo -69.4 127.82 15.45 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.347 2.031 . . . . 10.0 110.903 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 60' ' ' PHE . 24.9 mt -73.04 133.63 31.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.111 0.481 . . . . 10.0 111.671 -178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.409 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 37.0 m-80 -90.98 167.13 12.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.877 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -84.65 -1.92 56.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.95 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 p -117.62 34.94 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.71 0.29 . . . . 10.0 111.779 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 68' ' ' ASN . 12.1 m-20 -121.68 152.64 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.094 0.473 . . . . 10.0 111.943 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.667 HG22 ' HA ' ' A' ' 39' ' ' PRO . 28.9 p -126.54 164.42 34.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.875 -0.787 . . . . 10.0 108.875 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 42.8 Cg_exo -57.57 -36.55 98.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.979 1.786 . . . . 10.0 111.502 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.42 62.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.247 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.502 ' HB3' ' H ' ' A' ' 72' ' ' THR . 45.9 tp60 -63.0 -35.21 79.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 10.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.2 mt -96.23 6.12 49.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.351 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 54.2 44.48 29.06 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.308 0.575 . . . . 10.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 75.5 mtp -80.99 161.92 24.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.787 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.52 ' C ' HD11 ' A' ' 18' ' ' ILE . 51.5 mm-40 -133.52 -177.9 4.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.398 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.31 153.12 42.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.808 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 70.72 11.67 7.21 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.468 0.707 . . . . 10.0 112.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.98 146.4 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 131.99 54.78 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.6 0.593 . . . . 10.0 112.6 -178.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.2 mp -102.72 130.54 52.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.219 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.97 125.63 35.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.286 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.6 t -108.85 114.49 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.61 176.19 5.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.982 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -119.4 146.9 44.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.687 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -81.32 143.5 32.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.84 0.352 . . . . 10.0 110.201 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -63.98 138.56 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.76 -30.29 51.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.133 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.764 -0.731 . . . . 10.0 112.166 -179.805 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.91 121.66 39.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.027 -0.669 . . . . 10.0 111.411 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.33 124.55 38.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.722 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.43 130.75 7.62 Favored Glycine 0 C--O 1.22 -0.781 0 C-N-CA 120.667 -0.777 . . . . 10.0 112.478 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 73.8 m -121.14 123.44 42.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.131 0.965 . . . . 10.0 110.711 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 27.4 mt -126.53 129.15 71.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.721 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.4 p -121.31 127.26 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 122.228 -0.295 . . . . 10.0 110.257 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.867 HD12 ' HB2' ' A' ' 42' ' ' LYS . 3.2 pt -122.5 129.79 74.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.884 0.373 . . . . 10.0 110.755 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.42 ' HB2' HG23 ' A' ' 38' ' ' THR . 5.0 t70 -122.44 127.34 49.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.145 179.322 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.921 0.391 . . . . 10.0 110.684 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -95.13 125.2 39.62 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.42 HD11 ' C ' ' A' ' 79' ' ' GLU . 20.6 tt -101.0 143.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.669 -0.493 . . . . 10.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 21.0 m-80 -115.42 123.25 48.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.186 0.517 . . . . 10.0 111.253 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.2 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.413 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 83' ' ' THR . 96.8 mttt -125.49 122.7 37.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.095 0.474 . . . . 10.0 111.363 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 71.4 t -86.81 127.1 40.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.886 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.93 105.35 17.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.942 0.401 . . . . 10.0 111.149 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.89 143.68 25.62 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.055 -0.818 . . . . 10.0 111.055 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -65.35 -17.48 64.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.87 0.367 . . . . 10.0 111.664 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.2 -23.78 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.298 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.58 -24.32 5.84 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.419 -0.896 . . . . 10.0 112.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.5 p -60.15 152.09 25.31 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.739 0.304 . . . . 10.0 110.416 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.32 142.7 37.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.031 0.443 . . . . 10.0 110.968 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 5.7 t -122.87 118.98 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.402 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.98 113.31 24.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 109.969 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 19' ' ' ASN . 1.2 m-85 -95.76 112.73 24.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.265 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -97.79 102.35 14.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -136.77 161.53 36.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.362 -178.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' ILE . 50.4 mttp -79.69 153.09 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -65.02 -14.19 59.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -104.89 10.54 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.892 0.377 . . . . 10.0 111.374 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.426 HG21 HG13 ' B' ' 202' ' ' ILE . 2.9 m -83.38 126.01 72.72 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.162 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.83 136.07 58.71 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.057 2.505 . . . . 10.0 112.381 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.85 -20.06 65.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.582 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -23.89 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.029 0.443 . . . . 10.0 110.714 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.634 ' HB3' HD12 ' B' ' 202' ' ' ILE . 9.7 mtpp -65.99 -44.09 85.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.588 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.547 ' H ' HD12 ' A' ' 43' ' ' LEU . 5.5 mp -64.42 -36.72 85.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 10.0 110.313 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 29.8 ttm -62.45 -30.7 71.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.31 -0.859 . . . . 10.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -96.54 -36.41 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.984 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.48 -56.67 18.27 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CE2' HG21 ' A' ' 30' ' ' VAL . 31.0 t80 -68.82 -28.86 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 10.0 110.516 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.466 ' SG ' HD12 ' A' ' 53' ' ' LEU . 50.0 t -65.12 -49.48 69.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.98 -30.41 71.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -68.57 -38.76 80.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.756 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -75.81 -29.8 58.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 10.0 110.205 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.31 37.81 6.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.067 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.466 HD12 ' SG ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.3 -175.92 3.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 10.0 110.736 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.5 t -85.39 139.83 31.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.577 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.3 ttp -67.58 -23.73 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.313 0.578 . . . . 10.0 110.823 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -86.53 -10.27 54.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.971 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -88.52 -2.44 58.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 10.0 110.608 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 pt -129.42 170.1 19.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.524 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -140.33 142.01 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.271 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 44' ' ' MET . 27.6 m-85 -112.15 134.7 53.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.884 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -128.71 144.61 51.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.128 0.49 . . . . 10.0 111.406 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -141.19 121.15 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.984 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 62.07 32.74 17.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.675 0.75 . . . . 10.0 109.798 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.97 63.07 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.885 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 57.4 mm-40 -107.39 135.72 19.65 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.702 -0.293 . . . . 10.0 110.384 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 26.1 Cg_exo -62.62 142.74 90.86 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.484 2.123 . . . . 10.0 111.768 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 60' ' ' PHE . 34.0 mt -89.95 131.68 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.77 0.319 . . . . 10.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -96.3 163.2 13.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.23 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.63 11.57 14.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.865 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 32.19 5.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.971 0.415 . . . . 10.0 111.403 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -125.46 166.07 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 10.0 111.285 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.78 161.64 62.49 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.241 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.16 -53.26 7.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.107 2.538 . . . . 10.0 112.752 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.94 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.587 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -78.55 -35.7 45.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.984 0.421 . . . . 10.0 110.248 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 mt -94.4 4.31 54.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.15 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 60.9 38.39 17.74 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.166 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.32 161.79 28.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' HD11 ' A' ' 18' ' ' ILE . 1.6 mm-40 -125.71 179.82 4.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.576 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.04 144.55 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.295 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 67.34 24.39 8.98 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.333 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.63 137.23 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 m -91.08 142.26 27.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.992 0.425 . . . . 10.0 111.784 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.6 mt -121.15 132.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.028 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 2.1 m-20 -90.02 132.92 35.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.1 t -123.35 122.74 65.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.2 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 85' ' ' ASP . 66.7 m-85 -126.44 167.35 15.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.021 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -104.07 149.03 25.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -74.08 146.73 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -69.66 154.19 42.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.756 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -99.15 -43.44 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.148 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 121.77 40.52 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.121 -0.631 . . . . 10.0 111.062 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.86 126.84 43.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.368 -0.833 . . . . 10.0 109.461 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.66 129.02 7.52 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.323 -0.942 . . . . 10.0 111.61 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 23.6 m -121.48 125.27 46.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.546 0.673 . . . . 10.0 110.525 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 8.8 mt -126.99 129.14 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.823 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.5 p -121.49 125.92 74.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.787 -0.365 . . . . 10.0 110.092 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 42' ' ' LYS . 4.3 pt -122.95 131.18 73.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 10.0 111.062 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -121.6 128.73 52.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.577 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--O 1.235 0.319 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.221 179.582 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 110.06 -0.348 . . . . 10.0 110.06 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -86.33 134.06 33.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.77 0.319 . . . . 10.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 34' ' ' ILE . 18.9 tt -100.93 141.45 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.786 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -99.12 105.45 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.007 0.432 . . . . 10.0 111.316 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -106.23 128.52 54.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.807 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 83' ' ' THR . 94.6 mttt -100.2 117.09 33.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.459 . . . . 10.0 111.174 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.17 136.14 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.87 121.88 17.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.801 0.334 . . . . 10.0 111.16 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.95 -139.21 5.12 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.922 -0.656 . . . . 10.0 111.888 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -112.5 9.45 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.845 0.355 . . . . 10.0 110.954 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.35 -63.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.128 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.07 -7.98 0.49 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.919 -0.657 . . . . 10.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.02 98.63 2.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.76 0.314 . . . . 10.0 110.327 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.9 132.13 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.268 0.556 . . . . 10.0 111.195 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.414 HG21 ' CE2' ' A' ' 47' ' ' TYR . 86.5 t -120.34 122.31 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.288 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -92.3 116.06 28.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' CE1' HD12 ' B' ' 200' ' ' ILE . 1.7 m-85 -95.62 123.14 39.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.767 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -102.88 98.94 8.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.58 -0.896 . . . . 10.0 108.58 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -138.11 157.52 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.72 -178.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 34' ' ' ILE . 30.6 mttt -79.49 161.82 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.349 . . . . 10.0 110.056 178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -70.96 -15.21 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.791 0.293 . . . . 10.0 111.791 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -98.15 -4.68 35.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.042 0.448 . . . . 10.0 110.309 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.441 HG21 HG13 ' B' ' 202' ' ' ILE . 35.7 m -80.88 122.98 82.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.234 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.9 138.53 82.25 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.123 2.549 . . . . 10.0 112.966 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -74.97 -7.84 54.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.95 83.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.784 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -68.08 -28.94 67.79 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.315 179.552 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -64.63 -41.14 96.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.041 0.448 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 78.6 mtm -72.82 -38.25 67.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.657 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' SD ' ' A' ' 55' ' ' MET . 10.7 mtmt -72.07 -45.63 59.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.901 -0.59 . . . . 10.0 112.092 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.0 -54.73 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.141 0.423 . . . . 10.0 112.141 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 11.1 t80 -63.31 -40.16 96.58 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 10.0 110.678 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.0 t -61.52 -42.61 99.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -36.6 84.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.024 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD2' HD11 ' B' ' 200' ' ' ILE . 6.0 ttt-85 -66.72 -30.73 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.638 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 12.0 mm100 -83.74 -19.8 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.339 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.19 42.82 18.15 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.015 -0.612 . . . . 10.0 112.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.3 mt -132.42 177.39 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -95.51 140.56 30.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.452 ' SD ' ' HG3' ' A' ' 45' ' ' LYS . 31.9 ttp -66.81 -14.44 62.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 10.0 110.473 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -85.51 -17.32 36.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.878 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -83.83 -24.16 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.9 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 pt -113.96 174.07 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.944 0.402 . . . . 10.0 111.546 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -138.9 149.76 45.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.834 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.457 ' HB3' HD12 ' A' ' 67' ' ' ILE . 87.4 m-85 -125.43 139.15 53.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -134.75 150.53 50.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 10.0 111.958 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.2 t80 -140.83 125.99 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.064 -0.971 . . . . 10.0 109.161 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 62.22 21.17 12.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.48 0.657 . . . . 10.0 110.563 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.01 0.03 81.47 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -112.72 145.49 33.09 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.687 0.244 . . . . 10.0 110.605 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.14 136.24 43.47 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.432 2.088 . . . . 10.0 111.657 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 60' ' ' PHE . 65.0 mt -82.04 137.84 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.227 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -90.08 159.38 16.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.517 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.18 3.26 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.633 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.45 29.32 5.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.206 0.527 . . . . 10.0 110.478 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.0 159.32 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.396 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.7 OUTLIER -134.18 160.28 69.11 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.624 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.08 -40.73 81.39 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.246 1.964 . . . . 10.0 112.153 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.24 -3.55 43.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.469 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.403 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 37.9 tp60 -99.8 -28.21 13.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 10.0 110.333 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt -101.29 11.68 38.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 55.33 46.98 22.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.216 0.531 . . . . 10.0 110.77 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 80.9 mtp -90.41 141.91 28.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.264 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -120.1 -179.4 3.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.78 154.95 39.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.644 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 62.78 30.11 16.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.76 -0.654 . . . . 10.0 111.664 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 172.79 12.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.381 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 m -133.4 132.69 41.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.177 0.513 . . . . 10.0 111.604 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 81.1 mt -109.86 130.16 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.755 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.89 144.14 25.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.601 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.2 t -127.32 128.11 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.307 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -124.39 170.0 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.576 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -113.74 142.39 46.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.212 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -76.21 140.51 41.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.482 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -57.93 147.1 29.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.403 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.25 -30.3 21.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.325 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.213 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.897 -0.408 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.2 p -119.32 123.03 43.21 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.995 -0.682 . . . . 10.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.7 129.0 48.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.301 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.47 127.92 7.11 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 110.778 -0.929 . . . . 10.0 110.778 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 14.2 m -121.1 123.82 43.26 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.29 -0.564 . . . . 10.0 110.52 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.467 HD11 ' HD2' ' A' ' 50' ' ' ARG . 19.1 mt -126.07 131.19 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.686 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.02 127.93 75.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.478 HD12 ' HD3' ' A' ' 42' ' ' LYS . 7.9 pt -121.9 130.7 74.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -121.38 128.63 52.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.758 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.475 179.507 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.233 0.212 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -111.07 131.77 54.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.885 0.374 . . . . 10.0 110.871 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 tt -109.55 142.32 22.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -107.89 137.8 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.057 0.456 . . . . 10.0 111.394 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 mt -121.82 164.87 16.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.955 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' THR . 82.6 mttt -122.61 136.56 54.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.047 0.451 . . . . 10.0 111.129 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.2 t -100.81 123.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.832 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 83' ' ' THR . . . -93.23 104.97 17.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.021 0.438 . . . . 10.0 111.614 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.89 157.79 27.63 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.449 -1.06 . . . . 10.0 110.449 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -87.76 -6.1 58.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.128 0.464 . . . . 10.0 110.849 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -99.74 -8.41 24.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.86 -10.12 40.71 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.149 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -77.49 136.08 38.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.197 0.498 . . . . 10.0 110.203 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 p -123.33 131.57 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.348 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.0 t -115.62 125.4 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.1 0.476 . . . . 10.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -80.96 113.65 19.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.431 -0.951 . . . . 10.0 108.431 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.03 106.98 19.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.653 -178.518 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -93.16 106.72 18.64 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.222 -1.029 . . . . 10.0 108.222 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -139.47 166.34 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.611 -178.088 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' HG13 ' A' ' 34' ' ' ILE . 17.3 mttt -92.39 156.31 17.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -64.7 -23.92 67.41 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -90.86 -8.54 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 10.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.582 HG21 HG13 ' B' ' 202' ' ' ILE . 47.7 m -76.52 119.6 78.05 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.165 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.593 ' HA ' HG22 ' A' ' 72' ' ' THR . 37.2 Cg_exo -56.59 145.28 81.83 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.833 2.355 . . . . 10.0 113.02 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.5 -7.35 49.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -31.34 70.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.383 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.651 ' HB2' HD12 ' B' ' 202' ' ' ILE . 24.2 mtpt -70.46 -30.82 67.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.351 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.8 tt -65.55 -38.43 89.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.285 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -83.21 3.35 31.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.32 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -116.56 -53.57 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.36 -47.02 82.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.918 0.39 . . . . 10.0 111.428 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -71.92 -28.55 63.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.966 0.412 . . . . 10.0 110.412 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 58' ' ' ILE . 5.3 t -69.42 -43.87 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.334 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -65.77 -36.46 83.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.524 ' HD2' HD11 ' B' ' 200' ' ' ILE . 31.7 mtt180 -62.97 -40.5 97.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.12 -14.78 58.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.948 0.404 . . . . 10.0 110.696 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.74 62.53 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.011 -0.614 . . . . 10.0 111.945 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.41 167.51 12.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.573 0.225 . . . . 10.0 110.415 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 t -91.48 140.88 29.33 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.2 ttp -61.86 -22.61 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.162 0.506 . . . . 10.0 110.625 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.4 ttt85 -78.84 -11.38 59.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.963 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -94.25 -36.86 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.934 0.397 . . . . 10.0 111.044 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.429 HD11 ' SG ' ' A' ' 48' ' ' CYS . 11.3 pt -97.32 166.85 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.467 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -136.09 142.9 44.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.845 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -117.46 135.51 53.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 10.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -127.17 143.94 51.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.442 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 92.1 t80 -145.97 130.36 17.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.719 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t0 62.24 26.0 15.57 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.425 0.631 . . . . 10.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.43 -7.91 73.95 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.802 -0.635 . . . . 10.0 112.962 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -111.38 153.47 44.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.822 0.311 . . . . 10.0 110.337 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.13 143.83 32.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.744 2.296 . . . . 10.0 111.669 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.0 mt -88.44 130.89 37.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.765 0.317 . . . . 10.0 110.993 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -94.27 171.9 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.2 11.08 12.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.054 0.455 . . . . 10.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -125.55 28.04 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.237 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -118.79 146.34 44.89 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.42 0.629 . . . . 10.0 112.333 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 39' ' ' PRO . 10.4 p -122.47 161.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.867 -1.06 . . . . 10.0 109.088 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.518 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 40.2 Cg_exo -57.66 -38.9 91.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.419 2.079 . . . . 10.0 111.71 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.68 84.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -62.32 -39.02 91.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.489 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.41 8.84 43.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.804 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 49.25 51.54 16.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.764 0.665 . . . . 10.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 85.0 mtp -76.56 146.22 38.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 10.0 111.216 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 10.6 mm-40 -121.54 176.49 5.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.268 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 3.8 t70 -72.17 158.5 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.898 -0.779 . . . . 10.0 108.898 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.2 mm-40 70.49 5.38 5.35 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.338 0.399 . . . . 10.0 111.54 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.3 t0 -77.44 145.11 37.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 4.3 m -120.21 135.31 55.02 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.2 mt -107.3 133.33 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.294 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -88.22 135.89 33.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.429 -0.35 . . . . 10.0 111.258 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.7 t -114.86 121.95 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.808 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -122.3 179.29 4.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.219 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.426 ' HG2' HG22 ' A' ' 58' ' ' ILE . 34.8 mt-30 -129.42 143.23 50.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -68.92 141.96 54.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.364 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -57.39 142.93 42.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.707 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -47.25 77.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.282 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.998 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--O 1.236 0.367 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.04 116.75 27.51 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 119.385 -0.926 . . . . 10.0 110.532 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.1 128.59 40.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.778 -1.101 . . . . 10.0 109.143 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.53 129.76 7.85 Favored Glycine 0 N--CA 1.436 -1.303 0 C-N-CA 119.706 -1.235 . . . . 10.0 110.829 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 74.1 m -122.69 122.89 39.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.869 0.834 . . . . 10.0 110.631 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.524 HD11 ' HD2' ' A' ' 50' ' ' ARG . 43.6 mt -127.34 128.81 70.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.989 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.2 p -122.67 128.27 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -121.01 130.33 74.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 178.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.57 127.89 53.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.068 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--O 1.236 0.387 0 O-C-N 123.29 0.369 . . . . 10.0 111.149 179.304 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.807 0.337 . . . . 10.0 110.586 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 5.3 m80 -98.89 133.55 43.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.4 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.7 tt -103.51 130.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -99.21 113.89 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.046 -178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.02 145.87 27.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.053 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -105.9 117.25 33.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.729 0.299 . . . . 10.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 42.1 t -95.0 122.98 46.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.732 -0.84 . . . . 10.0 108.732 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.1 115.3 29.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 10.0 112.068 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.92 165.97 33.56 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.793 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -79.11 -9.82 59.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.071 0.462 . . . . 10.0 110.806 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -91.84 -7.87 48.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.78 4.65 56.86 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.83 -0.7 . . . . 10.0 113.057 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 p -73.86 145.37 44.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.746 0.308 . . . . 10.0 110.645 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.93 112.8 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.305 0.574 . . . . 10.0 109.759 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 40.7 t -111.69 124.83 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.7 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -95.47 112.44 24.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.788 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' B' ' 200' ' ' ILE . 2.8 m-85 -97.28 109.22 22.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.948 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -93.38 102.12 14.36 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -132.51 168.8 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.102 -178.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 26.9 mttt -93.03 154.58 18.04 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.078 -0.341 . . . . 10.0 110.078 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -63.41 -24.99 68.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.631 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -93.66 -2.49 53.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.044 0.45 . . . . 10.0 110.861 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.674 HG23 ' HB2' ' B' ' 204' ' ' ASP . 92.4 m -83.19 119.92 74.95 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.129 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.579 ' HA ' HG22 ' A' ' 72' ' ' THR . 53.0 Cg_exo -55.3 139.93 81.51 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.911 2.407 . . . . 10.0 112.366 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -73.5 -0.09 14.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.437 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -39.03 93.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.422 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.746 ' HB2' HD12 ' B' ' 202' ' ' ILE . 0.1 OUTLIER -70.85 -30.56 67.0 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.346 179.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 32' ' ' PHE . 3.4 tt -60.41 -45.74 92.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.829 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 76.5 mtm -68.75 -44.92 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.738 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.65 -45.92 77.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.354 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.49 81.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 10.0 111.577 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -70.84 -38.23 73.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.062 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 p -67.05 -35.05 79.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.938 -0.305 . . . . 10.0 110.788 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -69.49 -38.73 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.709 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -67.6 -34.9 77.93 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.808 0.337 . . . . 10.0 110.614 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.7 -30.63 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.191 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.04 33.45 10.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.084 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -127.57 153.79 45.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.58 0.228 . . . . 10.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.2 t -68.56 147.41 52.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.245 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.4 ttp -65.5 -18.78 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.112 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -81.79 -16.35 51.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 10.0 110.766 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -84.14 -30.14 26.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 10.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 pt -93.02 153.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.09 113.22 15.49 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.052 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 67' ' ' ILE . 6.8 m-85 -94.8 133.19 38.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.928 0.394 . . . . 10.0 111.214 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.04 148.63 52.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 23.1 t80 -144.37 125.56 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.115 178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 62.0 29.96 17.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.496 0.665 . . . . 10.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.45 -13.62 45.42 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.507 -0.769 . . . . 10.0 113.004 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.437 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.9 mm-40 -101.92 138.53 19.82 Favored Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 122.749 -0.265 . . . . 10.0 110.74 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 37.7 Cg_exo -61.32 144.32 98.47 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.553 2.169 . . . . 10.0 111.464 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 60' ' ' PHE . 23.4 mt -84.64 139.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.06 0.457 . . . . 10.0 110.853 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.74 176.93 8.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.211 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -99.85 0.83 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.407 . . . . 10.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.66 50.14 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.678 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.54 150.93 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 10.0 111.488 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 39' ' ' PRO . 14.6 p -122.87 160.5 48.9 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.619 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.88 -31.04 93.23 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.221 1.947 . . . . 10.0 111.44 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.85 62.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.082 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -75.23 -29.18 60.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 10.0 111.038 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -91.01 -1.93 57.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.542 -0.299 . . . . 10.0 110.743 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 57.66 51.95 8.85 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.779 0.674 . . . . 10.0 110.996 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.8 mtp -94.01 152.53 18.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -119.47 176.06 5.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.52 153.57 43.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.484 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 66.72 30.95 7.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.037 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -85.84 156.23 20.64 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.0 m -113.85 124.17 51.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.398 0.618 . . . . 10.0 112.117 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -105.3 132.58 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.558 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.96 137.38 35.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.806 0.336 . . . . 10.0 111.347 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -124.44 113.78 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.619 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -113.22 -172.79 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -129.92 145.51 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 10.0 110.712 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -68.22 136.36 53.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.425 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.68 133.9 55.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.104 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -21.53 43.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.646 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.261 -179.877 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.31 124.21 47.25 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.477 0.656 . . . . 10.0 111.594 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.05 128.11 48.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.192 -0.913 . . . . 10.0 109.766 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.75 131.59 8.58 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 2.7 m -119.34 124.43 46.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.91 0.855 . . . . 10.0 109.619 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.547 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 3.3 mt -125.07 130.72 73.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.8 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.97 127.7 75.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 176.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 42' ' ' LYS . 8.7 pt -123.33 135.69 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 10.0 110.956 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.674 ' HB2' HG23 ' A' ' 38' ' ' THR . 4.4 t70 -123.72 127.37 48.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.525 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.459 179.591 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.591 0.234 . . . . 10.0 110.645 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -125.58 130.07 50.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.277 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 tt -102.12 131.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.32 117.69 34.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.853 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.73 155.42 24.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.265 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -110.16 154.99 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.891 0.377 . . . . 10.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -113.46 115.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.701 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 85' ' ' ASP . . . -84.68 99.25 10.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.951 0.405 . . . . 10.0 110.729 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.4 166.17 39.78 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.62 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -94.63 -5.22 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.078 0.466 . . . . 10.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -106.73 -35.27 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.47 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.49 -28.13 2.79 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.457 -0.877 . . . . 10.0 112.724 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.6 p -62.43 145.05 55.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.091 0.472 . . . . 10.0 110.795 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.1 p -131.25 136.17 58.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.78 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 16.1 t -116.85 118.16 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.189 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -73.8 112.61 10.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.487 -0.561 . . . . 10.0 109.487 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -88.56 102.49 14.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.62 -178.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -92.1 100.16 12.84 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.679 -0.86 . . . . 10.0 108.679 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -133.8 167.3 26.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.804 -179.151 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -93.41 153.62 18.4 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.609 -0.515 . . . . 10.0 109.609 179.143 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 10.7 ttt85 -63.92 -17.83 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.861 0.362 . . . . 10.0 111.261 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -103.57 10.53 36.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 10.0 111.079 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 35' ' ' LYS . 88.7 m -95.0 128.39 39.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.165 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.25 139.72 72.58 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.987 2.458 . . . . 10.0 112.834 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD11 ' SD ' ' A' ' 78' ' ' MET . 31.5 mt -76.05 -10.79 59.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.992 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 p -60.29 -33.89 72.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.042 0.448 . . . . 10.0 110.083 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.864 ' HB2' HD12 ' B' ' 202' ' ' ILE . 21.3 mtpp -64.39 -34.8 79.02 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.158 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -56.72 -44.58 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.028 -179.144 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 72.2 mtm -71.87 -49.53 37.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.103 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -63.48 -52.85 59.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.91 90.8 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -72.67 -37.95 67.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.254 -0.179 . . . . 10.0 111.044 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 44' ' ' MET . 1.8 t -62.69 -34.28 76.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 10.0 110.525 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -65.21 -33.77 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.791 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -71.04 -33.41 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 10.0 109.965 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -78.8 -28.82 44.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.439 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.52 32.71 36.99 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.46 -0.656 . . . . 10.0 111.46 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.3 mt -121.18 169.68 10.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.676 0.274 . . . . 10.0 110.278 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.9 t -82.56 144.28 30.47 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.98 -20.12 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 10.0 110.602 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -87.56 -7.99 56.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -86.01 -24.31 26.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.364 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 pt -119.45 172.2 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.738 0.304 . . . . 10.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -138.97 145.97 40.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -113.67 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -126.92 142.85 51.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.71 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.487 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 40.5 t80 -133.76 118.85 18.53 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.19 13.41 8.72 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.612 0.72 . . . . 10.0 110.453 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.84 -10.89 60.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.812 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 37.9 mm-40 -96.71 138.67 21.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.08 -0.341 . . . . 10.0 110.08 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' GLN . 13.0 Cg_exo -69.75 131.69 21.78 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.276 1.984 . . . . 10.0 111.62 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 62' ' ' PHE . 12.2 mt -84.97 140.18 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.347 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -103.79 167.7 9.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.783 0.325 . . . . 10.0 110.227 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -74.36 -5.31 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.882 0.372 . . . . 10.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.83 22.23 16.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.584 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.27 151.34 23.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 111.29 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.446 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -137.69 162.8 52.55 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.687 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 54.2 Cg_exo -53.31 -46.03 36.79 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.682 2.255 . . . . 10.0 112.662 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.37 -20.94 58.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 10.0 111.214 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.446 ' HB3' ' H ' ' A' ' 72' ' ' THR . 40.2 tp60 -71.71 -33.1 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.238 0.542 . . . . 10.0 110.221 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.6 mt -102.96 4.01 36.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.661 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 56.07 41.31 29.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.8 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.523 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 55.5 mtp -75.54 145.27 41.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.76 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -120.76 -177.05 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.577 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 5.2 t70 -75.62 159.64 30.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.7 mm-40 73.09 3.15 4.59 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.458 0.474 . . . . 10.0 111.243 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.47 151.48 34.65 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -126.43 136.45 52.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.41 . . . . 10.0 111.874 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.0 mt -103.85 134.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 8.1 m-20 -91.01 137.52 32.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 10.0 111.268 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.03 125.74 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.267 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -126.43 160.48 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.187 -0.46 . . . . 10.0 109.857 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.41 149.47 23.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -84.66 133.15 34.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.9 0.381 . . . . 10.0 110.109 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -61.68 143.05 56.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.554 -0.748 . . . . 10.0 111.546 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.57 -19.07 20.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.034 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.371 -179.72 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -118.88 126.14 51.12 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 120.402 -0.519 . . . . 10.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.84 129.67 52.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -121.63 133.47 9.48 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 121.04 -0.6 . . . . 10.0 112.26 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.6 m -117.24 124.04 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.535 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 7.4 tt -126.11 129.65 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.949 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.3 p -123.05 128.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 121.727 -0.608 . . . . 10.0 111.399 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.864 HD12 ' HB2' ' A' ' 42' ' ' LYS . 4.0 pt -122.79 128.68 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 178.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -120.28 127.09 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 10.0 110.84 179.344 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--O 1.235 0.302 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CE1' ' HE3' ' A' ' 33' ' ' LYS . 3.7 m80 -89.69 121.65 32.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.301 -0.408 . . . . 10.0 110.391 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.2 tt -98.02 127.29 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.139 -0.482 . . . . 10.0 109.864 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -90.28 104.28 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.106 0.479 . . . . 10.0 111.133 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.07 156.07 17.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.637 -0.711 . . . . 10.0 109.364 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -122.59 138.7 54.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 10.0 112.029 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -111.31 118.59 57.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.471 -0.786 . . . . 10.0 108.938 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.67 113.75 27.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.94 0.4 . . . . 10.0 111.062 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.57 168.89 30.99 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.867 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -70.49 -19.38 62.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.108 0.48 . . . . 10.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.59 -28.33 56.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.239 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.69 -13.46 32.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.647 -0.787 . . . . 10.0 111.519 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.57 121.46 16.45 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.72 134.26 38.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 10.0 110.838 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.44 124.48 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.99 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -87.5 115.82 25.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CZ ' HD13 ' B' ' 200' ' ' ILE . 0.2 OUTLIER -93.28 111.02 22.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.945 -179.026 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 34.2 tttt -97.15 102.96 14.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -135.86 164.39 32.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.336 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 34' ' ' ILE . 12.0 mttp -86.5 153.52 21.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 10.0 109.902 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -69.46 -5.45 23.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.511 0.559 . . . . 10.0 112.511 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -118.42 14.01 13.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.439 0.637 . . . . 10.0 110.119 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.429 HG23 ' HB2' ' B' ' 204' ' ' ASP . 21.5 m -95.66 125.04 50.78 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.0 144.63 56.18 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.898 2.398 . . . . 10.0 112.767 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.05 -1.6 36.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.74 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -39.45 91.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 10.0 110.333 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.824 ' HB2' HD12 ' B' ' 202' ' ' ILE . 0.3 OUTLIER -69.3 -32.69 71.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.215 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 32' ' ' PHE . 1.5 tt -62.84 -35.81 81.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.996 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 69.2 mtm -81.51 -30.0 33.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.796 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -90.04 -40.56 12.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' B' ' 200' ' ' ILE . . . -57.16 -50.39 72.97 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.19 -32.11 69.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 10.0 110.368 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 44' ' ' MET . 19.4 t -64.73 -44.39 90.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 10.0 110.33 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -65.34 -35.96 82.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.974 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -61.55 -37.83 85.23 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.12 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -79.75 -20.33 46.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.56 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.48 33.16 35.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.217 -0.516 . . . . 10.0 112.647 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.9 mt -122.51 173.9 7.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.688 0.28 . . . . 10.0 110.568 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -89.95 143.02 27.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.191 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.9 ttp -65.98 -19.62 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.926 0.393 . . . . 10.0 110.44 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -82.84 -10.83 58.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -89.59 -27.1 20.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.903 0.382 . . . . 10.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.0 pt -112.17 169.09 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.524 -0.307 . . . . 10.0 111.13 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -140.33 143.06 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.176 -0.466 . . . . 10.0 109.877 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -117.6 133.72 55.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -129.6 138.61 51.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.985 0.421 . . . . 10.0 111.522 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 80.1 t80 -131.04 129.15 41.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 10.0 108.839 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.2 23.03 13.57 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.54 0.686 . . . . 10.0 109.963 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.38 1.86 90.27 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.388 -0.823 . . . . 10.0 112.832 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -108.76 141.05 22.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.65 0.225 . . . . 10.0 110.753 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.59 131.14 23.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.702 2.268 . . . . 10.0 111.859 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -84.49 140.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -102.97 -177.88 3.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.439 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.18 12.56 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.83 0.348 . . . . 10.0 111.324 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 p -131.7 37.16 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.992 0.425 . . . . 10.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.07 153.06 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.14 0.495 . . . . 10.0 111.445 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.507 ' H ' ' HB3' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -128.2 163.0 46.89 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.54 179.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 53.1 Cg_exo -55.48 -46.52 31.67 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.519 2.146 . . . . 10.0 112.076 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.79 75.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.755 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.507 ' HB3' ' H ' ' A' ' 72' ' ' THR . 43.0 tp60 -64.2 -38.43 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.22 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.1 mt -93.97 6.4 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 58.22 43.22 20.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.062 0.458 . . . . 10.0 110.592 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 73' ' ' PRO . 74.3 mtp -85.62 142.85 28.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.788 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -121.73 177.79 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.168 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 10.5 t70 -68.06 146.81 53.15 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.254 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 2.5 mm-40 78.26 3.07 2.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.534 0.734 . . . . 10.0 112.2 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.35 142.75 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.313 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.1 m -113.53 142.96 45.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.034 0.445 . . . . 10.0 111.703 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.4 mt -115.51 133.98 60.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.754 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -86.79 142.49 28.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.966 0.412 . . . . 10.0 111.109 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.6 t -112.8 120.7 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.386 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -119.18 169.55 9.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.372 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -120.2 159.74 24.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.016 -0.365 . . . . 10.0 110.016 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -85.26 145.16 27.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.758 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -67.58 141.37 56.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.22 -0.445 . . . . 10.0 109.849 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -44.24 46.19 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 10.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.424 179.642 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.4 p -117.58 122.72 44.4 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.909 0.862 . . . . 10.0 110.683 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.85 127.87 46.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.692 -1.14 . . . . 10.0 109.093 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.03 130.39 8.21 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 111.044 -0.823 . . . . 10.0 111.044 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.0 m -118.18 122.78 43.89 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.123 -0.695 . . . . 10.0 109.123 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.479 HD13 ' CZ ' ' A' ' 32' ' ' PHE . 13.4 tt -125.6 128.72 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.818 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.4 128.34 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 121.79 -0.569 . . . . 10.0 111.868 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.824 HD12 ' HB2' ' A' ' 42' ' ' LYS . 12.9 pt -123.83 129.09 74.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 177.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' ' 38' ' ' THR . 4.7 t70 -121.5 126.78 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--O 1.237 0.44 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.329 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.235 0.34 0 CA-C-O 120.713 0.292 . . . . 10.0 110.223 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -91.23 138.22 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.151 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 34' ' ' ILE . 20.1 tt -108.48 128.62 63.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 179.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.18 101.99 14.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.977 0.417 . . . . 10.0 110.711 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.1 mt -94.6 155.54 16.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.46 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -118.05 126.66 52.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.125 0.488 . . . . 10.0 111.692 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 93.7 t -91.63 131.56 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.706 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.24 103.31 12.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 143.72 20.23 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.438 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.58 -17.18 62.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.88 0.371 . . . . 10.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.89 -0.14 57.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.758 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.47 35.27 7.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.845 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -107.21 139.99 40.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.943 -0.391 . . . . 10.0 109.943 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.37 125.36 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.204 0.526 . . . . 10.0 110.308 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 38.6 t -122.05 124.35 71.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -87.15 110.44 20.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 10.0 109.221 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE2' ' HG ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -98.6 113.01 24.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.034 0.445 . . . . 10.0 110.675 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' O ' HG23 ' B' ' 201' ' ' VAL . 71.1 tttt -101.94 101.6 12.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.626 -0.716 . . . . 10.0 109.414 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -136.39 167.69 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 34' ' ' ILE . 37.5 mttt -88.94 158.31 18.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.861 0.363 . . . . 10.0 110.393 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -69.12 -21.89 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.527 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -90.27 -8.44 50.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.047 0.451 . . . . 10.0 110.258 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.454 HG23 ' HB2' ' B' ' 204' ' ' ASP . 91.4 m -79.43 124.15 84.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.405 -0.816 . . . . 10.0 111.779 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.09 143.24 99.87 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.847 2.365 . . . . 10.0 112.228 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.7 mt -76.58 -6.72 53.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.71 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -61.05 -46.35 91.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -28.94 69.15 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.433 -0.348 . . . . 10.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 32' ' ' PHE . 10.0 tt -68.11 -52.22 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.04 -43.42 86.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.179 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -73.76 -38.89 64.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.002 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.91 71.37 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.871 0.367 . . . . 10.0 111.646 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -63.8 -37.44 87.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.0 t -67.93 -42.34 81.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.62 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.68 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.466 . . . . 10.0 109.94 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -70.02 -33.17 71.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.481 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.96 -30.96 50.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.322 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.42 44.7 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.753 -0.658 . . . . 10.0 112.076 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -143.52 -173.16 3.88 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.9 t -100.7 144.11 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.303 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.3 ttp -65.78 -21.2 66.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.101 0.477 . . . . 10.0 110.717 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 56' ' ' ARG . 21.5 ttt180 -77.78 -12.67 60.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.16 0.505 . . . . 10.0 110.458 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -87.33 -8.15 57.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.426 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.5 pt -134.0 171.34 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.872 0.368 . . . . 10.0 111.137 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -136.51 133.92 37.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HB3' HD12 ' A' ' 67' ' ' ILE . 79.1 m-85 -104.27 133.74 48.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.848 0.356 . . . . 10.0 110.089 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.66 142.58 51.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.724 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 81.7 t80 -136.54 120.46 17.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.427 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.19 14.91 9.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.485 0.66 . . . . 10.0 110.859 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.77 -0.64 59.42 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.258 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -115.58 148.55 41.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.487 0.184 . . . . 10.0 110.864 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.73 153.7 68.75 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.591 2.194 . . . . 10.0 112.242 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 60' ' ' PHE . 37.9 mt -104.32 135.53 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.922 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -94.84 158.86 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.8 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.47 25.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.731 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.39 18.9 2.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.38 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -100.46 157.15 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.262 0.553 . . . . 10.0 111.618 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -130.41 159.74 69.23 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.425 -0.807 . . . . 10.0 109.165 178.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.52 ' HA ' ' SD ' ' A' ' 78' ' ' MET . 50.8 Cg_exo -55.22 -44.8 45.66 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.413 2.076 . . . . 10.0 112.016 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.33 -32.8 73.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.498 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 24.6 tp60 -68.38 -33.43 74.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.678 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.29 6.05 50.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.64 -0.254 . . . . 10.0 111.428 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 61.45 36.64 17.13 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.509 0.506 . . . . 10.0 110.741 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 82.3 mtp -77.47 142.15 39.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.179 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 6.1 mm-40 -122.68 175.61 6.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.092 -0.503 . . . . 10.0 110.799 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 9.1 t70 -61.72 137.18 58.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.363 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 6.6 mm-40 75.83 15.24 2.57 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 124.026 0.829 . . . . 10.0 111.952 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -68.39 140.49 55.84 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -104.35 129.72 52.24 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.05 127.48 69.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.201 178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -94.02 135.17 35.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 10.0 111.221 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.43 128.85 68.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 10.0 109.981 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.82 158.82 29.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.576 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -92.6 151.74 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.058 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -82.77 145.32 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -66.74 139.02 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 10.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.57 -37.42 27.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.677 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.194 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.368 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 121.06 39.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 119.728 -0.789 . . . . 10.0 111.176 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.5 125.21 42.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.638 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -123.37 132.5 8.56 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.037 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 18.5 m -119.16 123.39 44.27 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 117.95 0.875 . . . . 10.0 109.681 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 29.9 mt -126.33 130.81 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.731 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 33' ' ' LYS . 3.3 p -121.74 130.12 74.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.433 HG13 HG21 ' A' ' 38' ' ' THR . 8.6 pt -119.9 133.44 66.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.454 ' HB2' HG23 ' A' ' 38' ' ' THR . 22.5 t70 -122.27 129.35 52.13 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.971 -0.751 . . . . 10.0 108.971 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.633 -179.339 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -93.14 168.7 10.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.606 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 34' ' ' ILE . 18.0 tt -125.95 141.15 46.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -107.55 104.81 14.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.22 0.533 . . . . 10.0 111.27 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.406 HD22 ' HE1' ' A' ' 78' ' ' MET . 38.9 mt -99.83 166.49 11.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.531 -0.759 . . . . 10.0 109.316 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 83' ' ' THR . 95.8 mttt -136.57 137.52 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.318 0.58 . . . . 10.0 111.993 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 48.6 t -114.16 129.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.66 116.91 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.581 -0.282 . . . . 10.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.54 165.61 52.9 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.865 -0.684 . . . . 10.0 111.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.83 -11.31 60.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 10.0 111.318 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.14 -14.09 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.67 -8.15 29.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.652 -0.785 . . . . 10.0 113.325 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.7 p -63.25 141.84 58.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.18 126.2 71.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.239 0.542 . . . . 10.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' B' ' 198' ' ' GLY . 61.8 t -112.18 122.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.637 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -88.94 118.01 28.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.332 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.25 106.33 17.13 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.937 0.399 . . . . 10.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -98.72 98.27 9.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -134.57 174.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.866 -178.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 34' ' ' ILE . 28.0 mttt -95.0 159.54 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -65.79 -23.25 66.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.495 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -94.69 -1.02 53.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 10.0 111.346 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.595 HG21 HG13 ' B' ' 202' ' ' ILE . 55.5 m -78.56 122.68 85.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.06 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.89 136.03 65.01 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.829 2.353 . . . . 10.0 112.459 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.49 -9.63 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.127 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -62.67 -35.78 80.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.918 0.389 . . . . 10.0 110.331 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.856 ' HB2' HD12 ' B' ' 202' ' ' ILE . 1.8 mtpp -69.2 -30.32 68.48 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.208 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.89 -49.52 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.9 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 56.4 mtm -62.49 -43.9 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.158 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.49 -43.68 66.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.77 71.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.818 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.84 -34.11 64.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.82 0.343 . . . . 10.0 110.79 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' SG ' HD11 ' A' ' 58' ' ' ILE . 2.3 t -67.2 -39.96 86.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.67 -32.95 74.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.511 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CZ ' HG12 ' B' ' 200' ' ' ILE . 66.3 mtt180 -69.46 -26.17 64.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.674 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -92.08 -14.67 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.283 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.94 38.36 84.66 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.488 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.1 mt -129.26 165.59 21.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 10.0 110.666 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -74.47 139.6 44.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 10.0 110.408 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.2 ttp -68.26 -23.65 64.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -74.98 -12.45 60.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.17 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -86.48 -13.24 46.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.105 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.455 HD11 ' SG ' ' A' ' 48' ' ' CYS . 1.6 pt -120.51 171.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.069 0.461 . . . . 10.0 111.701 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -138.43 128.01 24.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 10.0 109.871 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' A' ' 67' ' ' ILE . 17.8 m-85 -102.16 130.29 48.75 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -127.02 136.08 51.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.245 0.545 . . . . 10.0 111.134 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -132.03 128.37 38.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.068 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.67 22.02 12.95 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.758 0.79 . . . . 10.0 109.795 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.66 -2.34 87.27 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.96 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -111.22 141.43 24.33 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.927 0.363 . . . . 10.0 110.831 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.72 138.73 71.03 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.47 2.113 . . . . 10.0 111.281 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 60' ' ' PHE . 10.1 mt -88.94 139.75 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.8 0.333 . . . . 10.0 110.87 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.9 162.1 13.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.883 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.32 5.27 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.191 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 11.0 13.97 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -106.75 163.81 12.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 10.0 111.881 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.96 163.68 48.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 10.0 109.504 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.53 -42.62 63.47 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.334 2.023 . . . . 10.0 111.653 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.67 -34.71 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.86 -37.82 87.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 10.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.81 0.84 56.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.63 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 56.64 47.65 18.0 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.556 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.406 ' HE1' HD22 ' A' ' 20' ' ' LEU . 93.0 mtp -78.56 159.78 27.96 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.267 -0.879 . . . . 10.0 111.38 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.44 -179.97 5.33 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.388 -0.824 . . . . 10.0 109.892 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.91 155.86 37.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.65 20.32 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.556 0.535 . . . . 10.0 111.027 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.15 121.45 25.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.342 -0.39 . . . . 10.0 109.952 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -91.26 133.3 35.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.923 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.66 131.68 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.409 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -93.92 137.38 33.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.064 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.8 120.31 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -115.14 158.75 21.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.597 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -96.6 141.86 29.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.672 0.273 . . . . 10.0 110.654 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -72.69 143.67 48.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -58.44 144.77 40.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.15 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -132.16 78.5 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.515 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.658 -0.782 . . . . 10.0 112.325 -179.543 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.84 122.75 42.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.187 -0.605 . . . . 10.0 110.373 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.14 129.51 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -120.7 129.48 7.88 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.401 -1.08 . . . . 10.0 110.401 178.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 55.2 m -122.04 124.43 43.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.206 1.003 . . . . 10.0 110.826 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.463 HG12 ' CZ ' ' A' ' 50' ' ' ARG . 31.0 mt -125.08 129.94 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.246 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.4 p -121.69 126.59 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.856 HD12 ' HB2' ' A' ' 42' ' ' LYS . 5.5 pt -123.68 132.33 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 120.986 0.422 . . . . 10.0 110.181 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -118.26 125.1 49.44 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.734 -179.564 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 C--O 1.232 0.16 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -79.4 127.21 31.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.543 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.2 tt -95.5 138.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -95.39 111.0 22.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.025 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.44 153.36 23.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.116 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -116.87 133.34 56.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.928 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 30' ' ' VAL . 35.9 t -101.12 124.25 54.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.446 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.98 115.7 28.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.907 0.384 . . . . 10.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.8 156.73 23.21 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.787 -0.721 . . . . 10.0 111.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -72.8 -32.91 65.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.607 0.241 . . . . 10.0 111.187 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.36 -15.46 37.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.354 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.88 -10.29 15.72 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.37 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 p -56.87 129.98 43.81 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.026 0.413 . . . . 10.0 110.723 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.43 124.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.531 0.682 . . . . 10.0 110.719 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 22' ' ' VAL . 99.2 t -120.61 127.76 75.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.83 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -93.52 124.86 37.8 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.02 122.42 45.2 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.127 0.489 . . . . 10.0 111.758 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -102.43 109.5 21.16 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD12 HD11 ' B' ' 202' ' ' ILE . 7.1 tt -142.22 159.05 20.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.866 -178.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.553 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 24.3 mttp -93.52 170.57 9.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.907 0.384 . . . . 10.0 110.19 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -68.93 -32.61 72.34 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -91.28 -6.63 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.687 HG23 ' HB2' ' B' ' 204' ' ' ASP . 3.6 m -77.32 123.05 86.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.518 0.199 . . . . 10.0 111.503 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.87 145.64 98.72 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.681 2.254 . . . . 10.0 112.689 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.81 -5.1 49.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.32 -47.68 84.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.479 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' HD3' HD12 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -70.49 -28.52 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.251 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -63.39 -45.62 90.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.595 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 72.0 mtm -68.72 -41.7 78.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.032 0.444 . . . . 10.0 110.606 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.29 -46.75 69.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 10.0 112.447 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 50' ' ' ARG . . . -54.2 -48.93 70.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 10.0 111.609 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 85.2 t80 -67.82 -40.59 83.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.884 0.373 . . . . 10.0 110.583 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.1 t -63.52 -43.35 97.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.652 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -62.41 -37.29 85.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 86.0 mtt180 -69.14 -23.18 63.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.163 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' TYR . 8.8 mm100 -85.49 -15.38 43.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.182 0.515 . . . . 10.0 109.751 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.16 34.68 40.66 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.592 -0.731 . . . . 10.0 112.631 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.2 mt -130.76 172.87 11.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.926 0.393 . . . . 10.0 110.943 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 t -90.1 144.18 26.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.385 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.2 ttp -64.06 -15.46 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 10.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 56' ' ' ARG . 27.0 ttt85 -82.76 -15.68 50.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.671 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -83.56 -34.22 25.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.64 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.45 168.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.06 0.457 . . . . 10.0 111.57 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -131.7 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.792 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.92 126.99 45.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.384 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -125.73 144.64 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.297 0.57 . . . . 10.0 111.61 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' A' ' 78' ' ' MET . 51.9 t80 -132.02 123.98 28.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.459 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 64.61 19.47 11.83 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.608 0.718 . . . . 10.0 110.36 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.87 -10.12 70.43 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.663 -0.699 . . . . 10.0 113.03 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.9 143.2 27.11 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.873 0.336 . . . . 10.0 110.64 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.2 140.72 96.15 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.818 2.345 . . . . 10.0 112.121 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.9 mt -81.91 127.19 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.015 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -71.49 148.77 46.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.415 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.85 -9.17 58.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 10.0 112.137 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.56 27.12 8.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.116 0.484 . . . . 10.0 111.029 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.44 159.39 15.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.544 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.67 159.97 61.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.141 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.52 -43.09 48.4 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.553 2.168 . . . . 10.0 111.789 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.83 -28.37 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.321 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -77.33 -30.54 54.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.689 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.93 1.44 57.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.239 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 60.03 36.33 21.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.797 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 62' ' ' PHE . 86.5 mtp -70.82 145.93 50.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.299 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 7.7 mm-40 -113.59 176.95 4.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.927 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -72.34 140.54 48.54 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.2 mt-10 75.71 10.49 3.34 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.941 0.776 . . . . 10.0 111.062 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -64.53 140.14 58.84 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -105.96 135.79 46.77 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.4 mt -108.65 132.9 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.635 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.8 136.73 33.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.916 0.389 . . . . 10.0 111.693 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -118.18 118.83 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.938 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -116.71 172.74 7.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.419 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -117.98 145.99 44.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.661 0.267 . . . . 10.0 110.721 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -79.69 138.17 37.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.064 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -64.93 132.63 49.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.135 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -26.73 62.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 10.0 110.781 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.78 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 24.4 m -118.68 127.41 53.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.896 0.379 . . . . 10.0 111.1 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -122.7 128.26 50.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.419 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' VAL . . . -122.85 132.29 8.61 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.734 -0.546 . . . . 10.0 111.734 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 48.6 m -119.58 125.09 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.946 0.873 . . . . 10.0 110.512 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 36.8 mt -124.54 129.54 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.944 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.43 129.27 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.559 HD11 HD12 ' A' ' 34' ' ' ILE . 4.9 pt -121.99 130.56 74.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.201 0.524 . . . . 10.0 110.272 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.687 ' HB2' HG23 ' A' ' 38' ' ' THR . 8.2 t70 -117.09 126.51 52.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.179 -0.675 . . . . 10.0 109.179 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.109 178.53 . . . . . . . . 0 0 . 1 stop_ save_