data_2k0m_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2k0m _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo . . . . . 0 CA--C 1.54 0.784 0 CA-C-O 121.158 0.399 . . . . 75.11 112.683 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.486 ' N ' HD11 ' A' ' 7' ' ' ILE . 2.2 mp -74.03 103.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.288 -0.415 . . . . 63.35 111.037 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -91.23 123.37 34.62 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.018 0.437 . . . . 72.02 111.625 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.75 113.03 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.004 -0.544 . . . . 70.22 110.354 173.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.01 28.63 18.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.965 0.412 . . . . 41.14 111.823 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.36 40.61 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.403 -0.427 . . . . 74.14 113.17 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -75.09 117.35 16.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.539 -0.389 . . . . 74.3 110.614 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.04 104.63 16.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.308 0.575 . . . . 72.32 111.614 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.01 136.23 33.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.329 -0.396 . . . . 74.45 111.101 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.25 5.71 13.89 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.695 0.628 . . . . 71.05 112.695 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 19.6 tpp180 -163.61 150.18 11.93 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 122.245 -0.284 . . . . 62.54 111.375 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.09 -45.55 90.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.9 0.381 . . . . 74.45 110.839 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.77 65.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.877 0.37 . . . . 65.42 111.828 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 37.9 t0 -69.06 -42.32 76.4 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.184 0.516 . . . . 73.14 110.538 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.84 96.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.15 -0.477 . . . . 62.14 111.363 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.91 -41.61 99.5 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.219 -0.446 . . . . 63.51 111.354 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -53.89 -51.6 63.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.233 -0.44 . . . . 71.14 111.607 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.77 -48.71 63.64 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.035 0.445 . . . . 74.22 111.536 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.527 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 77.7 mtm -64.95 -40.48 95.07 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.388 -0.369 . . . . 72.11 111.814 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -64.81 -37.65 88.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.706 0.288 . . . . 72.34 111.568 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 22' ' ' ALA . 96.4 t -57.61 -58.9 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.655 0.264 . . . . 53.13 111.681 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.646 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.1 ptt? -62.99 -40.64 98.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.957 -0.297 . . . . 75.31 111.083 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.41 -50.22 62.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.055 0.455 . . . . 70.0 111.45 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.49 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.6 -18.8 65.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.161 -0.472 . . . . 75.41 111.832 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -85.48 -7.87 58.66 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.056 0.391 . . . . 75.0 112.056 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -108.55 162.88 13.72 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.972 0.415 . . . . 75.23 111.236 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.546 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 80.6 mtm180 -105.74 163.47 17.01 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.476 -0.329 . . . . 62.24 110.33 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 49.7 Cg_endo -66.22 19.24 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 122.724 2.283 . . . . 73.21 115.134 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.97 12.09 1.08 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.043 -0.599 . . . . 55.1 113.324 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -104.87 147.63 27.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.252 0.549 . . . . 72.14 112.017 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -85.93 135.76 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.885 -0.598 . . . . 75.22 111.232 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 141.62 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.294 -0.412 . . . . 73.53 111.463 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -59.89 153.48 20.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.824 0.345 . . . . 61.15 111.872 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.7 m -58.99 -37.47 76.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.794 0.331 . . . . 73.03 111.656 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.44 -52.53 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.045 0.45 . . . . 60.41 111.404 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.646 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 31.0 m-20 -65.88 -40.41 91.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.127 0.489 . . . . 54.0 110.809 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.505 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -57.55 -42.13 93.88 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 116.028 -0.533 . . . . 71.14 112.7 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -34.92 72.36 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.074 0.464 . . . . 74.35 111.413 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.29 -46.93 69.01 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.043 -0.526 . . . . 73.01 110.509 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.21 -40.56 81.95 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.622 -0.717 . . . . 74.14 111.998 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' GLY . 91.0 t -54.77 -53.42 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 120.811 0.339 . . . . 72.41 111.327 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -67.64 -35.85 79.66 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 120.879 0.371 . . . . 72.34 111.183 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.98 71.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.265 0.555 . . . . 74.34 110.997 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 tp -75.96 -53.13 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.092 -0.504 . . . . 72.33 110.824 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -53.71 -25.13 17.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.193 0.812 . . . . 70.51 113.193 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -78.45 13.92 1.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.184 0.439 . . . . 71.31 112.184 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -114.19 140.7 25.31 Favored Pre-proline 0 N--CA 1.47 0.537 0 C-N-CA 122.507 0.323 . . . . 71.11 110.795 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -23.28 68.14 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.509 2.139 . . . . 72.45 113.006 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 14.9 m-20 -81.38 3.15 25.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.206 0.447 . . . . 74.22 112.206 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.69 -57.45 2.3 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.999 0.741 . . . . 62.23 112.999 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.5 t -55.22 -40.69 71.11 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.239 0.459 . . . . 75.52 112.239 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 m -69.55 -40.45 76.81 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.808 0.337 . . . . 55.13 111.486 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 29.0 mmmt -71.3 -46.92 59.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.094 0.473 . . . . 74.14 111.377 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.91 -50.51 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.76 -0.654 . . . . 71.43 112.705 -174.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.96 -116.83 4.93 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.843 -0.694 . . . . 74.24 112.621 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.43 -21.53 6.27 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.507 2.138 . . . . 73.14 113.02 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.64 153.31 6.34 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.092 -0.575 . . . . 75.33 113.169 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.28 124.42 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 120.932 0.396 . . . . 74.22 111.089 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -91.61 -48.15 7.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.717 0.294 . . . . 62.21 110.697 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -167.66 175.66 6.88 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.904 0.383 . . . . 72.11 111.285 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.19 135.12 55.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.154 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -120.54 137.32 54.45 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.816 0.341 . . . . 50.24 111.058 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.38 114.81 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.662 0.268 . . . . 75.35 110.454 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -135.83 159.24 42.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.69 0.281 . . . . 73.41 110.48 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 121.096 0.474 . . . . 74.41 112.084 -176.591 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 120.677 0.275 . . . . 74.42 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.3 m -147.91 158.21 43.92 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.748 0.309 . . . . 74.02 111.236 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.81 125.15 35.21 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.178 0.513 . . . . 75.14 111.579 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -103.02 132.4 49.31 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.147 0.498 . . . . 64.41 111.557 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.5 mt -88.81 109.35 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.9 -0.591 . . . . 70.43 111.388 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.51 114.12 24.8 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.851 0.358 . . . . 72.43 110.26 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -79.32 154.6 28.96 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.225 0.536 . . . . 73.14 112.014 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.7 p -66.03 -19.38 65.83 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.125 -0.489 . . . . 63.13 112.171 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.18 -5.13 53.51 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 120.772 0.32 . . . . 72.21 111.815 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.16 4.3 56.51 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.373 -0.441 . . . . 64.25 113.576 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 m -95.75 -178.74 4.48 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.416 -0.461 . . . . 63.14 111.477 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.66 161.67 37.94 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.213 0.53 . . . . 73.03 111.937 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.79 169.09 21.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.94 -0.573 . . . . 75.35 110.663 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -133.3 142.67 48.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.628 0.252 . . . . 70.43 110.954 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -136.65 137.64 40.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.199 0.523 . . . . 73.44 111.38 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.1 m -83.63 95.03 8.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.191 -0.458 . . . . 52.23 111.26 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -51.31 -28.24 11.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.72 0.637 . . . . 71.41 112.72 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 112.66 0.615 . . . . 75.3 112.66 -178.375 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo . . . . . 0 CA--C 1.544 0.981 0 N-CA-C 113.426 0.51 . . . . 52.23 113.426 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.477 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.9 mp -94.87 103.1 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 116.396 -0.366 . . . . 70.44 110.64 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 119.09 34.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.895 0.379 . . . . 63.13 111.352 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -123.24 109.83 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 120.729 0.299 . . . . 73.1 111.351 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.63 48.5 20.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.391 0.515 . . . . 73.22 112.391 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -2.97 81.6 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.204 -0.522 . . . . 73.13 113.77 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.78 106.96 18.41 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.138 -0.625 . . . . 75.24 110.866 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.08 109.05 17.95 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.131 -0.486 . . . . 63.24 111.992 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -103.06 103.03 13.08 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.979 0.419 . . . . 64.34 110.39 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 5.65 8.28 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.34 0.496 . . . . 72.41 112.34 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -153.87 141.78 20.18 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.741 0.305 . . . . 74.54 111.12 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -57.36 -36.27 70.98 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.591 0.589 . . . . 74.34 112.591 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.51 -32.81 71.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.862 0.319 . . . . 63.13 111.862 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.92 -41.64 95.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.039 0.447 . . . . 64.42 111.324 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.56 76.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.976 0.417 . . . . 53.42 111.385 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.5 mt -67.63 -34.44 76.97 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.117 -0.492 . . . . 65.55 111.42 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -59.61 -47.07 87.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.367 -0.379 . . . . 72.43 111.285 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -62.1 -54.99 33.52 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.373 -0.376 . . . . 72.12 110.8 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.463 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 66.1 mtt -49.3 -37.97 25.95 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.858 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.21 -51.27 66.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.697 0.284 . . . . 74.12 111.21 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 22' ' ' ALA . 58.9 t -59.69 -46.96 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 112.074 0.398 . . . . 70.3 112.074 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.463 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.5 ptm -65.95 -40.71 91.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.798 0.332 . . . . 74.14 111.508 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 76' ' ' GLN . 55.4 tp -64.67 -43.77 92.5 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.081 0.467 . . . . 64.35 111.374 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.521 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -72.27 -0.23 11.64 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.32 0.489 . . . . 54.11 112.32 -178.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.6 -22.72 21.09 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.151 0.5 . . . . 73.25 111.07 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' HB2' HG21 ' A' ' 68' ' ' VAL . 80.7 m-85 -110.22 140.8 43.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.285 -0.416 . . . . 72.23 110.517 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.53 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 56.2 mtm180 -94.6 164.57 19.45 Favored Pre-proline 0 N--CA 1.468 0.468 0 CA-C-N 116.532 -0.304 . . . . 72.15 111.457 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 19.2 Cg_endo -59.01 77.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.641 2.227 . . . . 64.34 112.649 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 -5.15 0.62 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 114.813 -1.085 . . . . 71.54 113.424 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.92 145.24 25.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.223 0.535 . . . . 74.41 111.952 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.06 129.58 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.922 -0.581 . . . . 71.1 110.096 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 60.9 t -61.3 132.41 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.454 -0.339 . . . . 74.53 111.609 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -60.93 169.23 2.02 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.661 0.615 . . . . 63.44 112.661 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.3 m -57.91 -57.79 11.23 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.621 0.6 . . . . 75.5 112.621 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.81 -48.36 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 121.006 0.432 . . . . 74.02 111.83 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.97 -39.0 90.64 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.008 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -62.06 -48.99 79.49 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 116.137 -0.483 . . . . 51.13 112.599 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.38 -37.16 64.68 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.956 0.408 . . . . 72.35 111.472 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.47 -49.53 76.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.044 -0.526 . . . . 70.11 110.595 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.11 -38.12 78.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.737 -0.665 . . . . 74.42 111.927 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 42' ' ' GLY . 66.4 t -58.73 -46.06 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.726 0.298 . . . . 64.13 111.164 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 16.2 mm-40 -62.77 -52.48 63.05 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.863 0.363 . . . . 73.52 111.008 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.35 61.61 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.096 0.474 . . . . 64.35 111.609 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.9 tp -74.07 -48.2 31.47 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.899 -0.591 . . . . 65.33 111.151 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -66.78 -7.83 24.09 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.603 0.594 . . . . 71.21 112.603 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 75.1 mtp85 -80.26 -5.1 55.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.965 0.412 . . . . 75.23 111.345 174.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -95.65 138.23 21.82 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.496 -0.32 . . . . 75.15 110.957 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.08 -23.44 60.74 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.274 1.983 . . . . 71.33 111.945 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.75 25.98 0.87 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.063 0.545 . . . . 63.23 111.326 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.92 -64.33 0.85 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.957 0.725 . . . . 71.41 112.957 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -55.51 -31.89 62.43 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 112.308 0.484 . . . . 72.03 112.308 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 t -56.08 -33.67 65.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.006 0.432 . . . . 71.51 111.792 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HB3' HD12 ' A' ' 80' ' ' ILE . 44.7 mmtm -102.76 -33.43 9.39 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.405 -0.361 . . . . 74.51 111.942 -177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.475 HG22 HG21 ' A' ' 63' ' ' VAL . 66.2 mt -81.75 -48.01 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 112.274 0.472 . . . . 71.23 112.274 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.65 -129.4 19.19 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 120.863 -0.684 . . . . 52.34 111.888 -171.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.27 -41.66 2.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.432 2.088 . . . . 74.13 112.756 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.82 158.53 27.58 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.988 -0.625 . . . . 51.14 113.31 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 59' ' ' ILE . 68.8 t -94.92 126.83 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 122.55 -0.383 . . . . 64.42 111.242 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -59.01 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.835 0.35 . . . . 61.41 110.285 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -153.08 152.25 31.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.142 0.496 . . . . 53.51 111.979 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.408 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 91.5 m-85 -99.04 143.93 28.76 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.261 -0.427 . . . . 74.2 111.041 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.14 143.99 48.81 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.002 0.429 . . . . 74.24 110.985 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.9 t -101.61 113.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 73.13 110.829 175.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 14.5 ttm180 -131.55 150.17 52.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.32 -0.4 . . . . 71.33 111.038 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.835 0.35 . . . . 61.2 111.87 -177.191 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.502 ' HB2' HD22 ' A' ' 28' ' ' LEU . 16.8 mt-30 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.084 0.468 . . . . 62.53 111.85 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.94 143.16 29.34 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.458 -0.337 . . . . 74.34 111.294 176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.975 0.417 . . . . 72.34 111.535 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.43 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 60.6 m95 -102.79 135.87 43.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.151 0.501 . . . . 75.12 110.936 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 58' ' ' LYS . 53.5 mt -98.34 110.0 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 111.98 0.363 . . . . 73.12 111.98 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.43 100.51 11.91 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.639 0.733 . . . . 54.41 109.531 170.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -76.73 153.92 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.074 -0.967 . . . . 75.22 112.401 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -61.33 -21.35 63.92 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.798 0.809 . . . . 73.44 110.136 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.11 -26.83 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.737 -1.12 . . . . 72.54 111.522 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.74 -15.66 40.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.491 -0.385 . . . . 74.4 113.112 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.0 p -97.63 162.93 13.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.223 0.535 . . . . 73.42 112.241 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' HB3' HD12 ' A' ' 81' ' ' LEU . 6.3 pt-20 -117.0 143.02 46.21 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.928 -0.578 . . . . 60.33 111.532 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -157.69 141.55 15.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.797 0.332 . . . . 73.34 111.157 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.48 159.99 14.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.046 0.45 . . . . 74.45 112.172 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -135.62 145.06 46.47 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.115 0.483 . . . . 75.33 111.299 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 63.1 p -79.85 95.67 6.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.219 0.533 . . . . 64.41 111.841 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -64.61 -27.68 69.1 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.217 -0.302 . . . . 74.31 111.765 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.894 0.378 . . . . 73.05 111.79 178.481 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo . . . . . 0 CA--C 1.541 0.833 0 CA-C-O 121.082 0.368 . . . . 73.14 112.292 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -87.14 75.06 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 121.49 0.662 . . . . 71.4 110.467 177.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 51' ' ' ARG . 2.2 tm-20 -93.03 111.43 23.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.108 -0.496 . . . . 55.42 110.415 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -124.05 115.83 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 111.987 0.366 . . . . 64.12 111.987 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.23 28.2 14.76 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.595 0.591 . . . . 54.42 112.595 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.15 -20.57 44.74 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 121.451 -0.404 . . . . 75.13 112.646 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -85.07 103.83 14.43 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.95 0.405 . . . . 74.04 110.0 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 10.8 pt-20 -93.09 122.6 35.62 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.501 0.556 . . . . 72.2 112.501 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.515 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 56.8 m-85 -122.46 130.56 53.19 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.274 -0.421 . . . . 73.42 110.482 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.91 -8.25 57.43 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 122.143 -0.348 . . . . 74.44 111.897 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' ASP . 54.9 ttp180 -143.51 145.95 32.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.903 0.382 . . . . 72.41 111.542 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' HD23 ' A' ' 21' ' ' LEU . 46.0 tptt -58.66 -42.11 87.66 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.519 0.562 . . . . 73.23 112.519 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.68 -32.88 44.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.199 0.523 . . . . 73.42 111.391 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.9 m-20 -69.91 -47.31 62.99 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.866 -0.606 . . . . 70.32 111.787 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.83 -39.6 71.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.293 0.568 . . . . 38.99 110.618 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 HD23 ' HE3' ' A' ' 17' ' ' LYS . 93.7 mt -64.03 -45.88 86.92 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.731 -0.668 . . . . 73.3 111.057 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.94 77.51 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.03 0.382 . . . . 71.52 112.03 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.96 -56.49 21.37 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.013 0.435 . . . . 74.54 111.053 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.487 ' HG2' ' HE1' ' A' ' 27' ' ' MET . 75.7 mtm -67.2 -22.2 65.74 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.281 -0.418 . . . . 74.25 111.719 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.15 -56.29 9.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.961 0.41 . . . . 72.22 111.032 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 -55.27 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.333 -0.394 . . . . 75.35 112.035 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.487 ' HE1' ' HG2' ' A' ' 24' ' ' MET . 26.2 ptt? -64.34 -33.7 76.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.965 0.358 . . . . 74.05 111.965 -176.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.428 ' HG ' ' HB2' ' A' ' 76' ' ' GLN . 51.6 tp -59.71 -49.97 75.67 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.117 0.484 . . . . 54.22 110.922 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -71.59 -16.18 62.29 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.949 -0.568 . . . . 64.11 112.081 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -67.85 -41.12 83.43 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.117 0.484 . . . . 75.4 111.07 174.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -90.51 157.98 17.26 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.459 0.647 . . . . 75.41 111.727 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.8 mtt85 -106.52 161.01 24.23 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 115.836 -0.62 . . . . 74.3 110.588 -177.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.14 76.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.616 2.211 . . . . 75.12 112.578 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 157.0 -26.99 0.51 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-N 114.974 -1.012 . . . . 70.12 112.923 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.31 137.22 55.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.271 0.557 . . . . 74.34 112.243 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.7 140.18 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.906 -0.588 . . . . 72.31 110.344 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.54 144.05 15.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 120.668 0.27 . . . . 70.22 111.322 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -65.07 165.57 10.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.346 0.594 . . . . 71.11 112.408 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 m -60.81 -27.79 68.3 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.929 -0.578 . . . . 74.45 111.337 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.73 -59.78 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.191 -0.459 . . . . 62.1 111.339 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.424 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 39.6 m-20 -63.04 -32.57 73.97 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.014 0.435 . . . . 75.13 111.23 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -57.7 -47.79 86.15 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.202 -0.454 . . . . 75.53 112.556 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.69 -35.48 74.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.139 0.495 . . . . 70.24 111.249 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.38 -47.41 85.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.905 -0.589 . . . . 74.04 110.397 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.68 -38.55 90.8 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.88 -0.6 . . . . 72.31 111.87 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG12 ' HE3' ' A' ' 50' ' ' LYS . 57.5 t -58.98 -48.51 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.856 0.36 . . . . 73.11 110.979 178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.93 -40.89 94.96 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.996 0.427 . . . . 74.44 111.35 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.04 -26.23 68.17 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.956 0.408 . . . . 64.33 111.562 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.14 -43.79 32.74 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.333 -0.394 . . . . 74.13 111.491 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.54 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.7 mttt -55.3 -18.83 7.03 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.102 0.778 . . . . 63.31 113.102 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 8' ' ' GLU . 94.6 mtt180 -87.88 17.32 4.95 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.346 0.498 . . . . 71.1 112.346 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -111.6 136.53 21.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.473 -0.33 . . . . 74.14 110.413 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -26.01 81.3 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.645 1.564 . . . . 72.21 110.593 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -19.4 59.02 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.411 -1.268 . . . . 71.23 111.997 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -51.35 -50.4 59.54 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.599 0.592 . . . . 74.21 112.599 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -48.04 -37.02 13.99 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 111.99 0.367 . . . . 61.01 111.99 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.4 t -74.43 -50.95 16.38 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.883 0.373 . . . . 73.11 110.95 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.6 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 22.6 mtmm -80.76 18.35 1.0 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.811 0.671 . . . . 63.21 112.811 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.473 ' HA ' HH11 ' A' ' 82' ' ' ARG . 80.9 mt -111.58 -47.72 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.372 -0.603 . . . . 63.03 109.372 164.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.88 -117.29 5.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.828 -0.624 . . . . 71.54 113.908 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.32 -19.0 15.57 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.802 2.334 . . . . 41.32 113.586 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.79 173.32 20.75 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.622 -0.799 . . . . 64.31 114.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.531 HG13 ' NH2' ' A' ' 82' ' ' ARG . 92.1 t -90.92 125.08 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.828 0.347 . . . . 72.54 111.689 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' HG2' ' ND2' ' A' ' 65' ' ' ASN . 78.4 ttt180 -91.11 -67.17 0.87 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.871 0.367 . . . . 75.22 110.424 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' ND2' ' HG2' ' A' ' 64' ' ' ARG . 9.7 p30 -168.55 -174.24 2.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.168 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -129.27 141.85 51.0 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.205 -0.452 . . . . 65.51 110.371 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -127.19 146.84 50.26 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.051 0.453 . . . . 65.3 111.914 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.9 t -101.22 119.26 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.989 0.423 . . . . 73.43 112.017 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 62.4 mtt180 -131.4 160.07 36.14 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.281 -0.418 . . . . 65.53 110.703 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 120.908 0.385 . . . . 70.34 111.352 179.208 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.428 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt-30 . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 120.771 0.319 . . . . 70.41 111.077 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.9 m -149.07 149.24 30.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.867 0.365 . . . . 72.2 111.411 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -87.89 118.41 27.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.262 -0.426 . . . . 74.33 111.039 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 42.2 m95 -93.55 127.05 39.03 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.25 0.548 . . . . 73.04 111.781 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.1 mt -89.76 106.4 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.669 -0.696 . . . . 75.24 111.728 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 81' ' ' LEU . 3.1 mm? -90.88 128.14 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.007 0.432 . . . . 74.12 110.807 176.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.6 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 3.0 mmp_? -103.12 152.21 21.67 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.288 -0.257 . . . . 74.41 111.314 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.3 p -59.26 -28.09 66.4 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 121.34 0.59 . . . . 71.11 110.716 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -55.31 -35.02 64.68 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.463 -0.789 . . . . 74.22 111.823 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.53 -29.47 6.93 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.345 -0.455 . . . . 75.34 112.456 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.4 m -63.87 149.55 46.81 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.057 0.391 . . . . 74.22 112.057 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.38 166.97 18.48 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.177 0.513 . . . . 72.24 111.638 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.527 ' HG2' ' HD3' ' A' ' 58' ' ' LYS . 9.2 tp10 -167.39 167.58 13.76 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.728 -0.669 . . . . 74.03 110.148 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 6.6 ptm180 -129.1 152.54 48.58 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 122.057 -0.402 . . . . 72.11 111.235 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -136.96 136.48 38.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.105 0.478 . . . . 73.2 111.493 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 m -86.06 96.03 9.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.373 -0.376 . . . . 73.21 111.811 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -55.24 -29.06 57.3 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.076 0.465 . . . . 74.44 111.807 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 115.83 -0.623 . . . . 74.54 112.268 179.07 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo . . . . . 0 CA--C 1.543 0.946 0 CA-C-O 120.94 0.308 . . . . 64.22 112.824 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.505 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.2 mp -84.47 113.08 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 120.702 0.287 . . . . 71.44 111.746 -174.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -106.53 116.78 32.52 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.665 0.269 . . . . 50.52 110.585 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.2 mt -133.4 110.78 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.707 0.289 . . . . 74.11 111.623 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.88 34.48 24.87 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.835 0.68 . . . . 72.32 112.835 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.46 -0.55 77.84 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.18 -0.533 . . . . 51.13 113.074 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -101.98 112.63 25.34 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 122.684 -0.304 . . . . 75.13 110.435 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.57 124.86 41.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.01 0.433 . . . . 73.33 111.336 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -116.19 118.28 32.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.807 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 4.6 7.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.565 0.58 . . . . 72.23 112.565 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.6 ptt180 -164.15 152.08 12.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.021 0.438 . . . . 64.33 111.257 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -40.95 93.36 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.206 0.447 . . . . 74.33 112.206 -177.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.05 75.13 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.877 0.325 . . . . 72.42 111.877 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 37.3 t0 -61.01 -43.83 98.32 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.207 0.527 . . . . 71.44 110.934 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.81 86.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.154 -0.476 . . . . 61.43 111.624 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.4 -36.46 84.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.388 -0.369 . . . . 72.55 111.629 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.38 63.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.792 0.33 . . . . 64.12 111.033 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -50.09 -45.88 53.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.129 0.49 . . . . 74.12 111.413 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.535 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 77.7 mtm -70.75 -40.69 72.55 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.846 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -61.37 -44.6 96.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.725 0.298 . . . . 74.21 111.678 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.74 -56.12 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 111.707 0.262 . . . . 74.24 111.707 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.535 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 26.8 ptt? -62.8 -28.03 69.71 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.886 0.374 . . . . 75.2 111.02 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.65 -44.36 96.46 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.385 -0.37 . . . . 44.21 111.258 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -75.65 -22.85 56.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.706 0.288 . . . . 72.33 111.572 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -46.45 76.7 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.912 0.387 . . . . 73.32 110.304 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.01 129.8 34.89 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.108 0.48 . . . . 75.03 110.581 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' A' ' 34' ' ' GLY . 79.2 mtp180 -66.22 146.35 99.02 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.088 -0.505 . . . . 71.35 111.957 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -65.01 25.02 0.08 OUTLIER 'Trans proline' 0 CA--C 1.55 1.299 0 C-N-CA 123.453 2.769 . . . . 44.23 114.8 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -149.59 9.99 0.93 Allowed Glycine 0 CA--C 1.528 0.857 0 C-N-CA 121.373 -0.441 . . . . 73.25 112.838 174.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.15 172.97 6.62 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.439 0.533 . . . . 72.54 112.439 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -95.57 147.54 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.82 -0.627 . . . . 74.14 111.545 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -83.17 145.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.471 -0.331 . . . . 72.41 111.321 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 m -67.01 163.82 19.07 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.061 0.458 . . . . 72.11 111.972 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.8 m -59.29 -52.61 64.92 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.765 0.654 . . . . 73.42 112.765 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.16 -50.09 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 120.926 0.393 . . . . 63.43 111.824 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.01 -37.39 76.78 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.062 0.458 . . . . 74.32 110.937 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.04 -43.44 90.78 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.146 -0.479 . . . . 70.14 112.91 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.02 66.3 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.126 0.489 . . . . 71.41 110.991 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.74 -50.69 72.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.807 -0.633 . . . . 72.54 110.487 174.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.8 -38.95 76.42 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.752 -0.658 . . . . 75.22 111.646 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 97.6 t -58.59 -48.14 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.682 0.277 . . . . 71.45 111.345 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -64.53 -45.12 88.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.992 0.425 . . . . 62.1 111.146 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.07 68.25 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.091 0.472 . . . . 61.32 111.123 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 tp -74.38 -44.21 53.11 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.016 -0.538 . . . . 73.35 111.103 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 46' ' ' VAL . 64.9 mttm -52.99 -36.57 60.53 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.231 0.826 . . . . 64.14 113.231 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -77.52 14.01 1.11 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.2 0.445 . . . . 61.11 112.2 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -109.76 129.42 23.94 Favored Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 122.724 0.41 . . . . 71.32 110.083 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.79 -22.22 67.06 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.165 1.91 . . . . 72.02 112.434 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.72 -11.19 59.86 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.048 -0.524 . . . . 60.11 111.868 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.61 -51.17 22.16 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.802 0.667 . . . . 70.44 112.802 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -51.71 -35.43 42.9 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.996 0.739 . . . . 74.45 112.996 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -76.7 -30.28 56.64 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.738 0.304 . . . . 74.02 111.69 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -83.76 -29.37 27.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.998 0.428 . . . . 73.03 111.496 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 HG22 ' A' ' 63' ' ' VAL . 78.0 mt -78.74 -43.15 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.279 -0.419 . . . . 74.21 111.386 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.05 -130.93 49.9 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.987 -0.625 . . . . 64.43 112.411 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -75.3 -16.4 19.59 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.625 2.217 . . . . 71.01 113.469 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.95 150.87 6.18 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 37.4 113.86 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 59' ' ' ILE . 70.4 t -89.23 121.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 122.702 0.401 . . . . 72.31 111.174 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' HG3' HD21 ' A' ' 65' ' ' ASN . 32.3 tpt180 -77.64 -58.91 3.01 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.734 0.302 . . . . 75.52 111.114 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.42 HD21 ' HG3' ' A' ' 64' ' ' ARG . 10.1 p30 -166.39 -177.16 3.92 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.705 0.288 . . . . 72.44 111.023 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.28 133.65 55.42 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.845 0.355 . . . . 74.14 111.558 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -120.33 144.89 47.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.466 -0.334 . . . . 51.15 110.658 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.43 138.18 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.039 0.447 . . . . 64.32 112.071 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 63.9 mtt180 -142.46 -177.6 5.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.928 0.491 . . . . 52.54 110.522 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 86.7 p . . . . . 0 N--CA 1.469 0.509 0 CA-C-N 116.499 -0.319 . . . . 73.15 110.302 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 44.8 mt-30 . . . . . 0 CA--C 1.539 0.553 0 CA-C-O 120.708 0.29 . . . . 72.03 110.541 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 52.4 t -157.51 152.37 25.53 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.918 0.39 . . . . 72.43 111.864 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.56 123.87 39.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.06 -0.518 . . . . 74.32 111.043 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 55.1 m95 -103.34 134.44 46.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.045 0.45 . . . . 73.12 111.264 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.7 mt -95.01 115.49 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.412 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -84.95 112.04 20.23 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.812 0.339 . . . . 75.13 110.605 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -83.81 146.93 27.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.764 0.316 . . . . 74.42 111.602 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.1 p -64.93 -16.6 63.5 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.864 0.364 . . . . 71.02 111.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.83 -27.83 65.47 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.307 -0.406 . . . . 72.31 111.532 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.17 22.15 7.33 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 116.223 -0.444 . . . . 70.22 112.982 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.6 p -135.24 -179.43 5.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.758 0.314 . . . . 73.13 111.346 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 81' ' ' LEU . 5.2 pt-20 -142.57 150.14 39.98 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.618 0.599 . . . . 44.15 112.618 -175.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.36 146.8 15.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.154 -0.475 . . . . 62.24 111.14 171.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.438 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 28.4 ptt-85 -94.46 170.21 9.65 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.232 0.539 . . . . 71.34 112.165 -175.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -139.47 145.32 38.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.016 0.436 . . . . 74.04 111.064 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.3 m -83.59 85.67 7.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.896 0.379 . . . . 61.41 111.863 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -57.81 -26.61 62.21 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.978 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.7 pttt . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 120.915 0.388 . . . . 71.2 111.651 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo . . . . . 0 CA--C 1.541 0.863 0 CA-C-O 120.844 0.268 . . . . 64.42 112.446 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.492 ' N ' HD11 ' A' ' 7' ' ' ILE . 2.8 mp -77.01 95.73 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.898 0.38 . . . . 74.41 111.024 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 37.4 tt0 -103.19 118.87 37.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.116 0.484 . . . . 75.35 111.166 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.8 mt -126.1 125.2 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.286 -0.415 . . . . 62.2 111.255 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.18 32.91 22.45 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.071 0.397 . . . . 65.54 112.071 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.41 -10.05 62.67 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.961 -0.638 . . . . 54.11 113.376 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -91.53 108.89 20.21 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.13 -0.322 . . . . 73.25 110.13 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -87.34 135.27 33.39 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.257 0.551 . . . . 71.03 112.322 -176.229 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.41 ' HE2' ' HE1' ' A' ' 44' ' ' PHE . 64.3 m-85 -126.77 119.3 26.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.984 -0.553 . . . . 75.21 110.414 174.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.07 64.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.969 0.414 . . . . 61.42 112.01 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -144.98 144.34 30.99 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.322 -0.399 . . . . 74.21 111.207 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.7 -35.5 70.71 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.799 0.296 . . . . 73.34 111.799 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.97 -47.52 74.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 72.33 111.421 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.67 -36.69 79.37 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.274 -0.421 . . . . 74.14 111.02 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.73 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.122 -0.49 . . . . 62.44 111.66 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.672 0.272 . . . . 74.23 111.07 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -58.56 -46.82 86.07 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.967 0.413 . . . . 73.01 110.852 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.72 -48.8 78.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.163 -0.471 . . . . 71.34 111.014 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.531 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 64.4 mtt -56.87 -49.37 75.7 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.135 -0.484 . . . . 70.53 111.251 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.55 -51.21 70.81 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.057 -0.519 . . . . 73.34 112.003 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 96.7 t -56.94 -59.24 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 111.81 0.3 . . . . 74.21 111.81 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.531 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 26.0 ptt? -58.93 -30.94 68.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.706 0.289 . . . . 63.54 111.263 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.75 -47.78 71.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.064 0.459 . . . . 71.53 111.436 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.487 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -64.5 -20.17 66.04 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.608 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 28.7 mmt180 -68.79 -23.25 64.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.902 0.382 . . . . 61.05 110.94 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -93.56 168.71 10.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.183 0.516 . . . . 74.42 110.772 173.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.63 165.12 14.31 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.157 -0.474 . . . . 74.34 109.952 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -67.35 35.36 0.15 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 122.722 2.282 . . . . 60.41 114.381 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.39 31.84 0.13 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 121.046 -0.597 . . . . 71.54 113.622 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.08 172.26 7.04 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.47 0.653 . . . . 71.34 112.425 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -99.88 139.52 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.647 -0.706 . . . . 74.33 110.88 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.4 145.38 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.822 0.344 . . . . 71.43 111.808 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -79.97 -176.72 5.64 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.842 0.682 . . . . 61.32 112.842 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.1 m -59.69 -68.25 0.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.923 0.712 . . . . 74.22 112.923 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.54 -44.61 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.213 0.53 . . . . 71.42 111.305 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 m-20 -56.7 -45.91 81.55 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.578 -0.737 . . . . 73.24 111.078 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -68.38 -42.91 80.81 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 116.261 -0.427 . . . . 40.01 113.02 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.52 87.73 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.128 0.49 . . . . 64.11 110.869 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' HE1' ' HE2' ' A' ' 14' ' ' PHE . 84.1 t80 -55.84 -44.99 78.52 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.741 -0.663 . . . . 75.0 111.043 175.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 94.1 mt -61.23 -43.35 99.01 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.117 -0.492 . . . . 73.24 111.798 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 42' ' ' GLY . 62.3 t -58.2 -46.9 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.194 0.521 . . . . 71.14 111.109 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.93 -34.47 77.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.14 -0.482 . . . . 75.43 111.439 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.22 61.37 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.881 0.372 . . . . 64.54 111.462 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.81 -48.24 15.15 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.29 -0.414 . . . . 71.03 111.687 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.56 -26.28 54.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.94 0.718 . . . . 73.55 112.94 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -81.21 20.14 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.047 0.451 . . . . 75.44 112.072 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -114.49 140.23 24.94 Favored Pre-proline 0 N--CA 1.471 0.582 0 N-CA-C 109.907 -0.405 . . . . 64.55 109.907 170.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.09 -27.13 83.89 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 121.982 1.788 . . . . 51.43 111.943 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.429 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 2.3 m-20 -73.62 -15.9 61.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.638 -0.71 . . . . 74.45 111.69 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.6 62.25 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.72 0.637 . . . . 73.14 112.72 -174.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 t -49.77 -40.11 40.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.904 0.383 . . . . 71.42 111.748 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -82.72 -33.98 27.39 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.004 0.43 . . . . 71.22 111.633 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 51.9 mttm -83.98 -6.76 59.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.57 0.581 . . . . 52.05 112.57 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.5 mt -110.11 -57.3 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.99 0.424 . . . . 73.41 110.881 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.36 -116.4 9.11 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 116.22 -0.445 . . . . 72.5 113.475 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.71 -20.82 15.16 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.718 2.279 . . . . 63.04 113.232 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.61 173.84 23.21 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.852 -0.69 . . . . 54.35 113.453 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.69 121.25 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 73.0 111.148 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -73.75 -52.68 12.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.727 0.299 . . . . 72.04 110.322 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -171.92 -177.4 1.92 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.227 0.536 . . . . 71.0 111.418 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -120.1 143.74 47.99 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.038 -0.528 . . . . 71.22 110.508 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.03 141.69 51.97 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.904 0.383 . . . . 74.45 111.398 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -101.13 120.79 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.919 0.39 . . . . 72.31 111.737 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -133.37 165.16 25.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.851 0.358 . . . . 75.2 111.027 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 109.051 -0.722 . . . . 74.42 109.051 169.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 120.897 0.379 . . . . 63.42 111.563 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 90.6 m -152.68 161.85 42.03 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.397 -0.365 . . . . 52.43 110.847 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -90.56 131.47 36.26 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.115 0.483 . . . . 73.05 111.792 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -101.98 130.97 48.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.047 -0.524 . . . . 72.22 110.858 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.91 107.86 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.575 0.226 . . . . 75.33 111.451 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 87' ' ' GLU . 3.1 mm? -96.51 107.04 19.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.776 0.322 . . . . 63.44 110.454 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.525 ' NH1' ' HA ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -83.74 157.57 22.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.709 0.29 . . . . 65.55 111.573 -178.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.9 p -59.51 -28.78 67.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.369 0.604 . . . . 75.34 110.764 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -58.99 -26.37 64.45 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.552 -0.749 . . . . 73.32 111.596 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.38 -32.53 6.92 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 116.384 -0.371 . . . . 75.22 112.495 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -59.32 142.64 51.57 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.218 0.451 . . . . 71.21 112.218 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -114.7 157.29 23.36 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.765 178.191 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -154.81 115.84 3.99 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.186 0.517 . . . . 75.01 112.201 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 89' ' ' ARG . 8.2 ttp180 -68.36 125.62 27.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.973 -0.558 . . . . 72.13 110.152 168.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -120.05 125.24 47.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.474 0.654 . . . . 75.53 111.096 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -72.59 88.45 1.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 45.12 111.68 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -55.92 -31.97 63.36 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.485 0.66 . . . . 73.44 110.342 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.5 pttt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 115.293 -0.867 . . . . 73.41 112.383 177.498 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.51 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 12.6 Cg_exo . . . . . 0 CA--C 1.539 0.753 0 CA-C-O 121.079 0.366 . . . . 65.04 112.424 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.3 mp -71.36 88.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.039 0.447 . . . . 75.11 110.059 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.36 130.47 35.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.967 0.413 . . . . 63.33 111.295 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mt -138.0 113.66 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.357 -0.383 . . . . 73.33 110.727 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.94 25.56 15.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.922 0.392 . . . . 71.43 111.909 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.45 -11.09 69.0 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.323 -0.465 . . . . 55.1 113.164 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -83.27 117.83 23.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.413 -0.463 . . . . 74.21 110.486 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -91.9 121.85 33.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.339 0.59 . . . . 64.4 112.136 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 85.6 m-85 -115.36 110.31 19.18 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.965 0.412 . . . . 74.54 110.855 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.83 -3.81 10.74 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.687 0.625 . . . . 73.21 112.687 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -152.85 139.32 18.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.405 0.282 . . . . 72.34 110.584 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -43.49 90.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.858 0.361 . . . . 65.22 111.544 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.63 65.69 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.931 0.345 . . . . 64.24 111.931 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.51 -44.24 78.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.106 0.479 . . . . 65.44 110.014 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.74 -46.28 90.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.884 -0.598 . . . . 64.03 111.735 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.25 -43.78 98.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.51 -0.314 . . . . 74.42 111.027 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -58.97 -47.8 83.84 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.294 -0.412 . . . . 64.32 111.176 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.8 -53.72 55.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.3 -0.409 . . . . 73.13 111.419 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.2 mtm -62.16 -36.16 81.0 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.466 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 4.3 tmmm? -62.6 -49.41 75.33 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.841 0.353 . . . . 73.23 110.344 176.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 22' ' ' ALA . 79.1 t -57.12 -57.01 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.389 -0.368 . . . . 73.45 111.455 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -57.41 -39.63 76.58 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.792 0.329 . . . . 64.42 110.92 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.41 -41.78 81.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.225 0.536 . . . . 72.12 111.215 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.554 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -79.75 9.53 5.06 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.993 -0.549 . . . . 72.23 112.289 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 26' ' ' VAL . 2.3 mpt_? -103.59 -6.89 21.24 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.953 0.406 . . . . 71.52 111.019 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB2' HG21 ' A' ' 68' ' ' VAL . 84.9 m-85 -107.33 156.44 18.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 75.43 110.102 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.532 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -83.21 155.69 66.77 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 109.861 -0.422 . . . . 75.14 109.861 176.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HA ' HG13 ' A' ' 68' ' ' VAL . 55.9 Cg_endo -67.56 26.71 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.275 0 C-N-CA 122.838 2.359 . . . . 61.41 114.763 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.3 32.48 0.2 Allowed Glycine 0 CA--C 1.528 0.852 0 C-N-CA 120.991 -0.623 . . . . 73.42 113.498 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.532 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 6.5 m-20 -122.26 172.22 8.45 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.438 0.637 . . . . 75.13 112.666 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' HG2' ' A' ' 67' ' ' GLU . 42.0 mm -74.49 139.32 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.374 -0.83 . . . . 63.42 112.364 -176.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -82.8 150.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.172 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 p -68.17 171.65 6.76 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.289 0.566 . . . . 61.24 112.324 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.3 m -64.22 -48.29 76.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.058 -0.519 . . . . 75.32 111.536 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.33 -52.7 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.175 -0.466 . . . . 64.43 111.438 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.46 -40.72 68.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.941 0.4 . . . . 63.14 111.11 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -59.12 -53.7 44.16 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.352 -0.452 . . . . 73.5 112.836 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.79 73.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.139 0.495 . . . . 62.52 111.277 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -58.66 -51.56 69.4 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.789 -0.641 . . . . 73.13 110.684 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.47 -35.18 73.59 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.992 -0.549 . . . . 73.42 112.136 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.449 HG12 ' HE3' ' A' ' 50' ' ' LYS . 88.1 t -57.27 -51.78 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 120.885 0.374 . . . . 70.1 111.454 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -62.43 -41.29 98.61 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.782 0.325 . . . . 71.22 111.435 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -34.72 76.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.084 0.469 . . . . 61.42 111.233 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 tp -67.98 -39.02 83.38 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.992 -0.549 . . . . 64.34 111.537 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.2 mttt -59.0 -14.57 9.75 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.053 0.76 . . . . 73.31 113.053 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -90.05 13.9 13.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.29 0.567 . . . . 73.52 111.099 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -102.95 136.84 19.18 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.008 -0.542 . . . . 74.42 111.521 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.87 -22.04 49.57 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.057 1.838 . . . . 70.1 111.427 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.08 -1.98 58.03 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.639 -0.709 . . . . 74.54 112.123 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.2 -45.11 79.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.228 0.455 . . . . 75.4 112.228 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -56.98 -25.0 57.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.925 0.393 . . . . 73.01 111.838 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -89.85 -35.31 15.72 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.667 0.387 . . . . 75.22 111.436 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -72.78 -31.6 64.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.992 0.425 . . . . 43.24 111.722 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.504 HG22 HG22 ' A' ' 63' ' ' VAL . 72.2 mt -80.22 -44.05 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 116.334 -0.394 . . . . 63.41 111.233 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.23 -113.84 5.83 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 121.409 -0.424 . . . . 61.51 113.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.29 -20.35 8.5 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.568 2.178 . . . . 65.32 113.128 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.52 150.36 5.37 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.32 -0.467 . . . . 43.14 113.148 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 59' ' ' ILE . 58.8 t -87.71 115.12 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.041 0.448 . . . . 72.51 111.382 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -81.95 -55.96 4.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.925 0.393 . . . . 74.04 111.074 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -162.3 -175.79 4.75 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.935 0.397 . . . . 72.24 111.198 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CE2' HG12 ' A' ' 80' ' ' ILE . 79.6 m-85 -127.67 144.55 51.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.499 -0.319 . . . . 61.2 111.059 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HG2' HD12 ' A' ' 36' ' ' ILE . 44.0 mt-10 -129.93 151.85 50.04 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.034 0.445 . . . . 72.53 111.144 175.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 31' ' ' TYR . 58.4 t -89.93 147.1 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.084 0.469 . . . . 65.15 111.596 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . 3.5 tpm_? -141.45 163.58 32.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.368 -0.378 . . . . 75.12 110.46 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 57.6 p . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 120.649 0.262 . . . . 71.11 111.001 175.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.747 0.308 . . . . 65.43 111.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 69' ' ' ARG . 28.0 p -149.5 157.25 43.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.888 0.375 . . . . 73.44 111.527 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.93 133.94 43.57 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.28 -0.418 . . . . 74.44 111.377 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -115.38 138.76 50.65 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.192 0.52 . . . . 75.12 111.802 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.445 HG12 ' CE2' ' A' ' 66' ' ' PHE . 48.1 mt -90.16 113.87 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.749 -0.659 . . . . 75.23 111.499 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.9 mm? -87.14 103.48 15.45 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.14 0.495 . . . . 72.14 110.584 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -79.91 148.37 31.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.858 -0.61 . . . . 64.44 111.697 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -58.65 -21.13 53.22 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.385 0.612 . . . . 73.03 110.852 175.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -52.65 -43.95 65.81 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.441 -0.799 . . . . 71.42 111.91 171.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.59 6.92 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.914 -0.66 . . . . 52.1 113.288 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.6 m -104.72 136.03 44.99 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.388 0.613 . . . . 73.21 112.078 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HB3' HD13 ' A' ' 81' ' ' LEU . 9.1 pt-20 -83.85 155.17 23.08 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.843 -0.617 . . . . 63.3 111.934 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -155.08 140.89 18.14 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.035 -0.53 . . . . 74.25 110.624 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -96.45 169.32 9.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.704 0.764 . . . . 74.3 112.755 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -142.96 132.01 23.04 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.679 -0.691 . . . . 63.34 110.557 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 p -70.65 97.5 1.35 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.116 0.484 . . . . 40.1 111.203 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.65 -38.13 88.49 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.326 0.491 . . . . 74.13 112.326 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 112.558 0.577 . . . . 74.53 112.558 -174.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo . . . . . 0 CA--C 1.543 0.944 0 CA-C-O 121.119 0.383 . . . . 72.15 113.055 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.1 mp -80.03 102.76 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 120.975 0.417 . . . . 54.34 111.216 -177.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -91.92 114.37 26.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.029 0.442 . . . . 64.11 111.065 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -126.89 110.43 23.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.463 -0.335 . . . . 71.24 111.319 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.07 33.22 22.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.003 0.43 . . . . 70.52 111.958 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 -22.41 39.59 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.49 -0.386 . . . . 72.14 112.972 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -78.66 104.68 9.43 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.734 0.302 . . . . 64.42 110.762 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -88.66 111.16 21.6 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.347 -0.388 . . . . 70.12 111.889 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 83.6 m-85 -94.38 123.84 38.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.41 -0.359 . . . . 74.55 111.15 177.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.251 0.463 . . . . 74.55 112.251 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HG2' ' OD2' ' A' ' 19' ' ' ASP . 19.6 ptp180 -130.06 165.68 21.73 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.879 0.371 . . . . 74.52 110.954 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -63.34 -38.47 91.29 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.354 0.597 . . . . 73.05 110.849 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.22 62.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.474 -0.784 . . . . 65.31 112.232 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD2' ' HG2' ' A' ' 16' ' ' ARG . 33.5 m-20 -62.17 -48.06 81.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.934 0.397 . . . . 54.4 111.286 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.45 84.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.281 -0.418 . . . . 71.13 111.734 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.13 -46.98 81.74 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.95 0.405 . . . . 75.41 111.607 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -61.0 -52.1 66.42 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.89 0.376 . . . . 74.44 111.511 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.523 ' O ' ' HG2' ' A' ' 27' ' ' MET . 88.9 t80 -53.2 -61.36 2.35 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.98 -0.554 . . . . 75.43 111.592 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.12 -31.39 68.89 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.612 0.597 . . . . 74.23 112.612 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -68.83 -47.56 65.71 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.87 -0.519 . . . . 72.13 111.225 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 22' ' ' ALA . 71.7 t -53.31 -58.28 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 120.67 0.271 . . . . 63.22 111.443 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 11.9 ptm -57.06 -41.09 78.09 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.376 -0.374 . . . . 71.21 111.538 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 HG11 ' A' ' 68' ' ' VAL . 53.7 tp -58.14 -41.14 83.05 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.019 0.438 . . . . 72.11 111.616 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.515 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -67.44 -21.35 65.56 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.333 -0.394 . . . . 70.11 111.997 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -76.55 -11.77 59.92 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.082 0.468 . . . . 75.3 110.982 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.411 ' HB2' HG21 ' A' ' 68' ' ' VAL . 90.7 m-85 -105.13 162.01 13.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.165 -0.47 . . . . 75.03 109.845 170.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.467 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 33.8 mtp180 -106.81 159.77 28.71 Favored Pre-proline 0 CA--C 1.538 0.508 0 O-C-N 122.123 -0.36 . . . . 71.44 110.843 176.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -65.06 26.0 0.08 OUTLIER 'Trans proline' 0 CA--C 1.552 1.396 0 C-N-CA 122.979 2.453 . . . . 61.3 114.469 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -156.03 33.41 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 112.15 -0.38 . . . . 61.34 112.15 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 m-20 -136.03 162.55 32.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.03 0.443 . . . . 72.3 111.759 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.27 144.89 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 121.155 0.502 . . . . 75.34 111.677 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.11 141.83 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.236 -0.438 . . . . 74.04 111.194 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -55.31 144.41 25.08 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.948 0.404 . . . . 74.32 111.852 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -58.97 -38.67 79.63 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.218 0.451 . . . . 64.23 112.218 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.65 -55.55 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 121.085 0.469 . . . . 65.1 111.128 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.89 -34.68 68.13 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.123 -0.489 . . . . 64.12 111.109 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -60.35 -46.09 94.96 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-N 116.171 -0.468 . . . . 71.35 112.751 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.77 -40.2 72.28 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.093 0.473 . . . . 71.54 111.095 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -59.82 -50.33 74.22 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.857 -0.61 . . . . 73.02 110.761 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.41 -35.9 74.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.854 -0.612 . . . . 71.42 112.016 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 50' ' ' LYS . 89.4 t -57.82 -48.61 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 120.804 0.335 . . . . 74.45 111.034 176.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 50.1 mm-40 -67.61 -38.94 84.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.973 0.416 . . . . 70.33 110.76 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -32.27 70.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.151 0.501 . . . . 71.51 111.131 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 HD13 ' A' ' 80' ' ' ILE . 51.2 tp -73.39 -41.14 63.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.062 -0.517 . . . . 70.24 110.995 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HE3' HG13 ' A' ' 46' ' ' VAL . 98.6 mttt -60.09 -25.21 65.24 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.085 0.469 . . . . 70.05 111.562 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.3 mmp_? -62.33 -14.78 43.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.555 175.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -101.19 144.29 28.28 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 122.742 0.417 . . . . 75.22 111.238 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.05 -16.76 40.79 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.26 1.973 . . . . 61.2 111.732 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.53 -9.43 59.33 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.783 -0.644 . . . . 72.52 111.635 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.96 20.79 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.068 0.766 . . . . 51.34 113.068 -173.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -51.52 -35.58 41.11 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.951 0.405 . . . . 70.31 112.082 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -81.68 -41.34 21.5 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.987 0.423 . . . . 70.15 111.387 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -75.53 -20.77 58.48 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.347 0.499 . . . . 64.3 112.347 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.6 -55.46 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.925 0.393 . . . . 73.45 111.144 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.37 -115.48 7.96 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.242 -0.504 . . . . 70.2 113.291 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 56.9 Cg_endo -69.61 -23.34 31.58 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.657 2.238 . . . . 62.4 113.045 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.03 167.5 12.26 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.98 -0.628 . . . . 54.43 113.213 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.54 118.74 48.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.016 0.436 . . . . 60.23 111.225 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -86.03 -46.95 10.02 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.894 0.378 . . . . 72.24 111.184 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -170.55 176.42 4.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.074 0.464 . . . . 72.25 111.141 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.75 132.22 55.57 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.374 -0.376 . . . . 72.22 110.687 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -121.63 139.03 54.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.416 -0.356 . . . . 72.24 110.382 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 HD12 ' A' ' 28' ' ' LEU . 68.6 t -87.97 134.8 27.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.835 0.35 . . . . 75.21 111.599 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.428 HH11 ' HG3' ' A' ' 69' ' ' ARG . 12.5 ttm-85 -141.91 -175.2 4.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.481 -0.327 . . . . 73.24 110.223 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.265 0.555 . . . . 74.1 112.29 -176.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 120.925 0.393 . . . . 71.0 112.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 20.6 m -153.53 154.06 33.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.063 -0.517 . . . . 72.21 111.121 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -82.43 119.75 24.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.463 -0.335 . . . . 74.45 111.189 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.427 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 42.5 m95 -101.61 127.27 48.41 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.559 0.695 . . . . 74.21 111.649 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.459 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 33.8 mt -83.89 103.56 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.468 -0.787 . . . . 65.12 111.896 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.02 104.79 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 75.43 110.122 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -81.89 151.38 27.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 71.14 111.764 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.0 p -59.5 -17.85 35.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.011 0.434 . . . . 70.04 111.732 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.515 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 5.2 t70 -54.4 -39.71 67.52 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.023 -0.535 . . . . 72.33 111.284 171.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.64 -34.25 3.07 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 115.749 -0.66 . . . . 41.31 112.218 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.4 t -88.64 167.55 13.27 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.458 0.647 . . . . 75.23 112.146 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -104.77 177.35 4.87 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.841 -0.618 . . . . 70.22 112.03 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.459 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 14.6 tp10 -158.29 168.11 27.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.596 -0.729 . . . . 75.02 109.403 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -140.15 152.43 46.06 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.639 -0.663 . . . . 75.02 112.029 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -138.53 110.78 7.38 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.318 0.58 . . . . 73.34 110.176 171.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -76.78 74.85 3.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.218 0.532 . . . . 65.11 111.419 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -52.12 -31.18 29.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.691 -0.686 . . . . 73.1 112.545 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.5 pttt . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 113.065 0.765 . . . . 71.22 113.065 -177.258 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 CA--C 1.539 0.742 0 CA-C-O 120.966 0.319 . . . . 70.2 112.566 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.472 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.9 mp -72.96 94.02 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.262 0.553 . . . . 63.03 110.326 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -87.91 110.46 20.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.254 0.55 . . . . 51.41 111.972 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt -124.56 120.3 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.86 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HA ' ' HG3' ' A' ' 47' ' ' GLU . . . 56.52 34.67 24.75 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.968 0.413 . . . . 62.43 111.966 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.74 -26.23 17.38 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 121.214 -0.517 . . . . 54.52 113.209 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -75.88 115.66 15.8 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.78 -0.247 . . . . 63.41 111.32 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -94.07 106.47 18.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.003 0.43 . . . . 54.22 111.121 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.71 139.47 30.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.861 0.362 . . . . 73.13 111.897 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.99 74.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.974 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -158.26 172.39 18.46 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.416 -0.357 . . . . 71.24 110.698 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HE2' HD23 ' A' ' 21' ' ' LEU . 22.3 tptm -57.25 -41.61 79.95 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.281 -0.262 . . . . 55.43 111.209 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.1 76.1 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.977 0.418 . . . . 60.32 111.662 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.27 -38.86 88.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.239 0.542 . . . . 63.14 110.314 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.53 83.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.018 -0.537 . . . . 72.4 111.071 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD23 ' HE2' ' A' ' 17' ' ' LYS . 84.0 mt -64.08 -32.03 73.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.358 -0.383 . . . . 72.31 110.882 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.94 -22.98 66.07 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.338 -0.392 . . . . 65.21 111.712 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.459 ' O ' ' HG3' ' A' ' 27' ' ' MET . 66.3 t80 -91.68 -56.87 2.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.113 0.482 . . . . 74.01 110.304 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.524 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 76.7 mtm -59.78 -46.01 90.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.971 0.73 . . . . 74.24 112.971 -176.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.48 -42.09 98.58 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.025 -0.422 . . . . 52.02 111.462 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.08 -38.28 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 121.025 -0.27 . . . . 74.53 111.324 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.524 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 47.7 mtm -60.02 -49.08 79.06 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.093 0.473 . . . . 71.22 109.77 173.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -52.95 -48.66 67.19 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.769 -0.65 . . . . 73.51 111.08 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -71.36 -24.96 62.18 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.917 -0.583 . . . . 74.4 111.797 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.39 -34.35 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.056 0.455 . . . . 75.52 110.714 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -97.97 156.62 16.54 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.995 0.426 . . . . 75.05 110.365 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -84.75 163.61 45.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 122.118 -0.364 . . . . 71.22 110.553 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -65.93 31.49 0.11 Allowed 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 122.954 2.436 . . . . 53.14 114.634 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.34 34.23 0.23 Allowed Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.087 -0.577 . . . . 53.34 113.462 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.75 161.08 28.13 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.347 0.594 . . . . 72.55 112.278 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.2 148.7 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.834 -0.621 . . . . 73.31 111.563 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -84.15 145.53 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 116.173 -0.467 . . . . 63.0 111.112 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.9 p -71.91 176.56 4.9 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.228 0.537 . . . . 60.14 112.308 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -61.2 -53.95 50.47 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.014 -0.539 . . . . 75.43 111.899 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.11 -55.37 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 116.269 -0.423 . . . . 64.23 111.561 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -44.56 66.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.042 0.449 . . . . 73.24 111.05 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -62.51 -49.91 69.33 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.179 -0.464 . . . . 74.22 113.28 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.55 -37.62 73.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.112 0.482 . . . . 72.25 111.146 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -59.99 -48.75 80.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.796 -0.638 . . . . 73.23 110.553 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.64 -37.79 79.63 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.05 -0.523 . . . . 63.22 111.81 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 42' ' ' GLY . 95.7 t -56.78 -47.51 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.942 0.401 . . . . 74.5 110.934 175.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 48.9 mm-40 -64.22 -48.63 75.09 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.429 -0.351 . . . . 72.31 111.495 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.97 64.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.302 0.572 . . . . 52.31 110.902 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.524 ' HG ' ' HB3' ' A' ' 55' ' ' ALA . 55.6 tp -64.67 -56.53 13.22 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.712 -0.676 . . . . 54.31 110.685 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.65 -21.24 38.7 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.475 0.917 . . . . 74.23 113.475 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.0 mmp_? -58.68 -17.08 19.52 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.947 0.403 . . . . 73.14 111.372 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -97.29 142.1 24.03 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 116.367 -0.379 . . . . 73.13 111.328 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.38 -34.76 65.02 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.575 2.183 . . . . 74.14 113.263 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.38 3.71 45.95 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.317 0.488 . . . . 71.14 112.317 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.524 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -59.51 -50.36 74.22 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.107 0.41 . . . . 72.13 112.107 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -46.9 -33.69 4.78 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.306 0.484 . . . . 72.13 112.306 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -60.58 -46.55 89.82 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.202 0.525 . . . . 72.05 111.419 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 33.6 mmtp -90.87 8.35 35.38 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.29 -0.413 . . . . 65.23 111.813 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 55' ' ' ALA . 79.3 mt -96.48 -55.71 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 120.808 0.337 . . . . 75.22 110.38 171.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.18 -127.67 27.32 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 116.049 -0.523 . . . . 61.5 113.794 176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HG2' ' OG1' ' A' ' 83' ' ' THR . 73.7 Cg_endo -71.64 -22.34 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.044 2.496 . . . . 74.22 113.676 -176.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.51 175.33 28.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.665 -0.778 . . . . 73.1 113.708 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.543 HG22 HH22 ' A' ' 82' ' ' ARG . 94.6 t -97.24 114.31 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.984 0.421 . . . . 62.42 111.798 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -56.0 5.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 74.54 109.736 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -170.64 176.03 4.42 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.275 0.56 . . . . 73.24 111.451 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -119.34 149.45 41.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.809 -0.632 . . . . 72.2 109.765 170.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -136.29 134.66 38.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.001 0.429 . . . . 70.21 111.753 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -88.4 103.45 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.233 -0.44 . . . . 55.41 110.084 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.533 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 79.6 ttt180 -123.46 155.58 37.2 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.575 -0.284 . . . . 75.01 111.008 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 113.446 0.906 . . . . 64.34 113.446 -173.811 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.675 0.274 . . . . 72.14 110.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 99.6 m -146.13 144.43 29.97 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 111.969 0.359 . . . . 54.44 111.969 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -83.81 108.73 17.02 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.274 -0.421 . . . . 71.22 110.309 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.533 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 46.4 m95 -87.88 126.85 35.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.233 0.54 . . . . 75.24 112.247 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.528 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 60.1 mt -87.73 95.18 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.59 -0.732 . . . . 55.3 111.107 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.62 124.08 29.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.091 0.472 . . . . 72.45 111.078 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.543 HH22 HG22 ' A' ' 63' ' ' VAL . 5.7 mmp_? -93.76 147.21 23.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.385 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 61' ' ' PRO . 46.7 p -61.78 -21.8 64.88 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.45 -0.341 . . . . 55.41 111.691 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.44 -24.71 67.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.226 0.536 . . . . 73.54 111.41 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.43 -7.58 30.36 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 115.948 -0.569 . . . . 54.3 112.125 -171.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.8 t -83.28 176.03 9.45 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.622 0.369 . . . . 73.03 111.96 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.49 177.87 8.53 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.778 0.658 . . . . 72.42 112.778 -176.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.528 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 9.1 tp10 -169.68 155.46 5.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.586 -0.734 . . . . 70.02 110.466 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -133.08 112.53 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.034 0.445 . . . . 75.42 110.789 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.25 136.89 43.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.346 0.594 . . . . 75.15 111.796 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.2 p -78.01 88.16 4.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.917 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -48.4 -41.11 28.11 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.94 -0.573 . . . . 74.1 112.505 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.497 ' HA ' HD23 ' A' ' 21' ' ' LEU . 59.2 pttt . . . . . 0 CA--C 1.542 0.637 0 O-C-N 122.143 -0.348 . . . . 74.45 111.245 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo . . . . . 0 CA--C 1.541 0.838 0 CA-C-O 121.171 0.405 . . . . 74.45 112.785 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.5 mp -78.15 84.45 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.243 0.544 . . . . 74.03 110.677 -177.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -88.38 123.18 32.69 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.61 179.039 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.0 mt -137.0 115.62 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 111.689 0.255 . . . . 74.21 111.689 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.78 30.79 16.73 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.207 0.817 . . . . 74.11 113.207 173.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.04 23.08 46.53 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.887 -0.673 . . . . 42.45 112.057 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -128.08 95.93 4.32 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.924 0.392 . . . . 72.04 109.982 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 12.1 pt-20 -82.79 105.69 14.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.471 0.653 . . . . 73.25 111.749 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 77.1 m-85 -91.13 117.09 29.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.088 -0.505 . . . . 75.35 110.768 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 -0.47 4.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.113 0.783 . . . . 63.31 113.113 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -167.86 152.29 6.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.341 -0.224 . . . . 75.24 111.116 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 23.4 mmmt -51.79 -48.15 63.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 111.672 0.249 . . . . 74.34 111.672 175.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.71 70.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 120.769 0.319 . . . . 71.53 111.771 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.47 -41.69 90.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.211 0.529 . . . . 73.24 111.046 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.53 66.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.185 -0.461 . . . . 65.23 111.83 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 77.9 mt -61.95 -42.64 99.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.883 0.373 . . . . 74.32 111.515 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.438 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.387 -0.369 . . . . 75.41 111.489 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.57 -49.48 76.49 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.089 0.471 . . . . 72.12 110.634 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.513 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 66.8 mtt -58.9 -40.38 84.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.985 -0.552 . . . . 74.45 111.247 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -57.08 -48.71 77.91 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.444 -0.344 . . . . 72.21 111.251 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 22' ' ' ALA . 94.2 t -56.58 -58.42 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 112.228 0.455 . . . . 73.31 112.228 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.513 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 26.8 ptt? -63.47 -39.33 94.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.782 0.325 . . . . 73.42 111.331 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.25 -45.03 92.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.19 0.519 . . . . 75.14 111.374 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.54 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -74.11 -9.72 58.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.023 -0.535 . . . . 75.11 112.192 -177.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -67.11 -35.99 80.96 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.538 -0.541 . . . . 74.54 109.538 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' HB2' HG23 ' A' ' 68' ' ' VAL . 49.3 m-85 -93.85 154.75 17.56 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.011 -0.541 . . . . 74.04 111.454 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 34' ' ' GLY . 34.2 mtp180 -91.09 165.49 21.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.276 -0.42 . . . . 73.32 110.939 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.58 26.19 0.05 OUTLIER 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.102 2.534 . . . . 74.32 114.746 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -154.16 14.04 0.55 Allowed Glycine 0 CA--C 1.527 0.829 0 O-C-N 122.039 -0.413 . . . . 73.33 112.603 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.64 160.66 14.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.511 0.672 . . . . 71.01 112.419 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mm -100.14 135.61 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.513 -0.767 . . . . 64.5 110.764 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 62.2 t -69.22 135.41 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 116.425 -0.352 . . . . 70.21 111.759 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -62.67 165.35 6.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.236 0.541 . . . . 63.22 112.185 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.7 m -59.85 -48.6 81.02 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.442 0.534 . . . . 74.21 112.442 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.45 -54.97 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.061 0.458 . . . . 74.25 111.458 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.37 -41.35 69.08 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.97 -0.559 . . . . 73.33 111.035 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -61.44 -44.41 98.06 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 116.044 -0.525 . . . . 65.21 112.545 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.13 69.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.052 0.453 . . . . 52.13 111.54 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.57 -48.07 76.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.269 0.557 . . . . 74.41 110.656 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.33 -37.07 79.47 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.864 -0.607 . . . . 61.0 111.867 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 42' ' ' GLY . 98.2 t -56.2 -51.68 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 120.709 0.29 . . . . 74.24 111.228 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.82 -45.88 92.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.042 0.449 . . . . 73.22 111.233 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.58 -29.93 68.3 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.093 -0.503 . . . . 44.43 111.775 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.94 -48.31 10.11 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.004 0.372 . . . . 75.52 112.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 46' ' ' VAL . 52.1 mtmt -57.86 -27.01 62.85 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.922 0.712 . . . . 63.54 112.922 -175.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -82.4 19.06 1.3 Allowed 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.2 0.524 . . . . 63.54 111.894 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -94.36 151.45 39.42 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 122.877 0.471 . . . . 75.31 111.227 172.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.25 -25.63 18.53 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.103 1.869 . . . . 71.5 111.151 168.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.85 -2.35 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.207 -0.906 . . . . 73.35 112.126 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.8 -45.61 40.51 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.314 0.857 . . . . 62.04 113.314 -173.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t -46.9 -50.12 19.25 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.77 0.655 . . . . 74.54 112.77 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -67.8 -30.42 69.84 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.211 0.529 . . . . 73.21 111.286 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -84.94 -7.12 59.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.009 -0.542 . . . . 72.21 111.771 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 75.4 mt -111.81 -60.34 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 112.064 0.394 . . . . 74.12 112.064 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.11 -113.36 5.7 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 114.304 0.481 . . . . 53.0 114.304 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 72.5 Cg_endo -75.38 -27.11 9.69 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.026 2.484 . . . . 70.44 114.52 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.43 176.19 21.65 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 120.43 -0.89 . . . . 44.31 113.889 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.781 HG21 HH12 ' A' ' 82' ' ' ARG . 29.4 t -90.99 117.78 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.246 0.462 . . . . 71.42 112.246 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 14.2 ttt180 -90.2 -60.8 1.83 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.814 0.34 . . . . 74.33 110.206 170.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.456 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.1 p-10 -171.54 -176.32 1.79 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.004 -0.544 . . . . 62.1 110.817 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.406 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.5 m-85 -125.56 154.62 41.91 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.436 -0.347 . . . . 72.43 110.307 173.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -128.97 147.36 50.85 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.872 0.368 . . . . 74.11 111.437 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 31' ' ' TYR . 95.7 t -103.19 119.62 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.879 0.371 . . . . 74.45 111.561 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 79.0 mtp180 -134.7 178.3 7.11 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.804 0.335 . . . . 74.51 111.019 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.971 0.415 . . . . 72.13 111.837 -179.478 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 120.859 0.361 . . . . 75.23 111.735 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.9 p -155.07 158.58 39.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.826 0.346 . . . . 65.22 111.279 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -94.83 131.15 41.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.121 0.486 . . . . 71.22 111.395 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.536 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 29.8 m95 -107.92 138.98 43.23 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.002 -0.545 . . . . 75.25 111.694 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.2 mt -94.82 112.24 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 115.789 -0.641 . . . . 72.23 112.044 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.05 117.2 33.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.924 0.393 . . . . 73.13 110.936 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.781 HH12 HG21 ' A' ' 63' ' ' VAL . 34.8 mmt180 -104.62 149.25 25.7 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.097 0.475 . . . . 72.22 112.125 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -55.84 -28.3 55.71 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.785 -0.643 . . . . 74.2 112.085 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 23.4 t70 -55.46 -33.53 63.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.326 -0.397 . . . . 75.53 111.845 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.9 -26.82 7.76 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.34 -0.457 . . . . 53.24 112.518 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 p -73.77 155.92 38.37 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.917 0.389 . . . . 73.31 111.488 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.48 41.99 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.254 0.549 . . . . 61.04 112.265 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -135.28 -171.77 2.9 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.994 -0.548 . . . . 72.43 110.722 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 79' ' ' TRP . 15.8 ptt180 -140.81 171.97 13.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.128 -0.323 . . . . 73.23 110.128 172.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.25 128.84 10.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.238 0.542 . . . . 73.44 111.833 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 m -85.41 95.42 9.25 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.044 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -53.14 -29.12 29.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.724 0.638 . . . . 75.42 112.724 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 112.693 0.627 . . . . 73.35 112.693 -179.668 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 CA--C 1.539 0.761 0 CA-C-O 120.779 0.241 . . . . 70.21 111.89 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mp -84.73 106.61 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 72.23 111.064 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 121.53 44.31 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.891 0.376 . . . . 61.45 110.46 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -131.98 118.22 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 116.432 -0.349 . . . . 74.15 111.564 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.9 24.67 14.72 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.615 0.598 . . . . 74.33 112.615 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.24 -6.66 61.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 74.25 112.887 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -95.19 108.79 20.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.538 -0.389 . . . . 74.51 110.544 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.58 129.32 34.96 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.194 0.521 . . . . 73.22 111.567 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.556 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 70.3 m-85 -122.65 136.01 54.76 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.367 -0.379 . . . . 72.24 111.43 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.34 82.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.12 0.415 . . . . 74.45 112.12 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.59 173.71 11.37 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.159 0.504 . . . . 75.24 111.575 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -58.23 -39.24 78.57 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.036 -0.529 . . . . 71.43 111.769 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -31.89 30.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.69 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.556 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 41.2 m-20 -65.66 -53.22 44.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.426 -0.352 . . . . 75.21 111.487 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.61 -42.97 89.41 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.011 0.434 . . . . 75.14 111.37 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.091 -0.504 . . . . 71.34 111.07 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -46.66 88.65 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.795 0.331 . . . . 72.25 111.42 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.16 -57.34 13.27 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.489 -0.323 . . . . 71.11 110.709 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.692 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 73.7 mtm -55.61 -34.41 64.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.249 0.462 . . . . 73.32 112.249 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HA ' ' HH ' ' A' ' 92' ' ' TYR . 23.3 tptm -64.81 -52.55 56.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.91 0.386 . . . . 74.11 111.231 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.46 -53.52 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.279 -0.419 . . . . 64.12 111.6 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.692 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.3 ptm -56.3 -38.42 71.22 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.8 0.333 . . . . 64.43 110.977 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.85 -47.48 83.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.948 0.404 . . . . 74.21 111.285 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -75.67 -13.11 60.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.94 0.4 . . . . 73.23 111.334 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.06 -34.23 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.994 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -84.49 155.01 22.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.01 0.433 . . . . 75.05 110.544 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 10.1 mpt_? -87.8 161.35 44.77 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.648 -0.251 . . . . 74.32 110.331 177.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 59.1 Cg_endo -71.19 52.14 1.44 Allowed 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 122.674 2.249 . . . . 74.33 113.411 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.76 21.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.055 -0.52 . . . . 53.34 112.941 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -110.31 160.78 16.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.285 0.564 . . . . 72.53 112.403 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 ' HG3' ' A' ' 67' ' ' GLU . 47.2 mm -91.61 137.57 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.63 -0.714 . . . . 64.02 110.313 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.33 140.19 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 120.939 0.4 . . . . 51.44 111.415 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -63.3 161.16 14.4 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.45 111.792 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.1 m -60.54 -48.76 80.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.892 0.33 . . . . 72.13 111.892 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.31 -51.48 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.139 0.495 . . . . 63.01 111.314 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -40.23 72.29 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.861 -0.609 . . . . 73.33 110.828 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -62.62 -42.49 99.69 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.017 -0.538 . . . . 65.12 112.601 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.67 -36.46 67.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.068 0.461 . . . . 41.22 111.33 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.44 -45.89 82.05 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.991 -0.55 . . . . 75.32 110.543 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.64 -38.09 88.9 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.18 -0.464 . . . . 64.22 112.057 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 42' ' ' GLY . 91.0 t -59.26 -48.41 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.178 0.513 . . . . 73.34 110.668 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -61.84 -47.55 84.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.89 -0.596 . . . . 75.21 111.256 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.377 -0.374 . . . . 63.51 111.072 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.72 -44.11 94.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.249 -0.432 . . . . 62.35 111.236 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.79 -33.67 61.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.115 0.483 . . . . 65.0 111.4 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.73 34.91 0.4 Allowed 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 112.35 0.5 . . . . 75.22 112.35 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -122.59 145.49 45.09 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 122.627 0.371 . . . . 74.35 111.197 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -15.92 35.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.457 2.105 . . . . 70.24 112.165 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -100.88 13.88 33.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.013 -0.539 . . . . 61.12 111.234 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.85 -59.89 2.78 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.583 0.586 . . . . 65.45 112.583 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -48.81 -39.58 25.94 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.455 0.539 . . . . 64.42 112.455 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -71.91 -39.05 69.79 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.917 0.389 . . . . 62.43 111.881 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -87.0 -12.46 47.37 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.038 0.384 . . . . 74.3 112.038 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -93.69 -57.48 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 122.069 -0.394 . . . . 70.34 111.326 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.66 -125.5 37.11 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 121.398 -0.43 . . . . 53.34 113.079 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.79 -21.15 25.33 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.724 2.283 . . . . 65.0 113.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.13 169.85 16.76 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.758 -0.734 . . . . 74.43 113.71 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.459 HG23 HH22 ' A' ' 82' ' ' ARG . 61.2 t -91.09 124.77 43.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 111.867 0.321 . . . . 73.4 111.867 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 72.9 ttt180 -93.67 -65.88 0.96 Allowed 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.604 -0.271 . . . . 73.23 110.868 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 2.4 p-10 -158.08 -175.84 5.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.767 0.318 . . . . 53.31 111.604 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -138.25 129.59 27.52 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.523 -0.308 . . . . 74.52 111.411 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG3' HD13 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -99.59 145.34 27.65 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.914 0.387 . . . . 72.54 111.269 172.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.81 116.78 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.549 -0.296 . . . . 60.13 111.145 175.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 69' ' ' ARG . 53.5 mtt180 -136.3 -178.49 5.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.674 0.273 . . . . 73.43 110.941 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 60.2 p . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 121.083 0.468 . . . . 65.24 111.391 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.2 mt-30 . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.646 0.26 . . . . 55.52 110.762 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 41.9 t -160.54 146.08 14.83 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.007 0.432 . . . . 74.34 111.875 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.08 137.53 34.06 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.751 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -104.84 122.12 45.1 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.349 0.595 . . . . 74.02 111.726 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.435 HG21 ' NE ' ' A' ' 82' ' ' ARG . 51.9 mt -80.64 92.83 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.627 -0.715 . . . . 64.02 111.882 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 87' ' ' GLU . 4.2 mm? -81.53 117.64 22.09 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.165 0.507 . . . . 71.53 111.009 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.459 HH22 HG23 ' A' ' 63' ' ' VAL . 5.0 mmp_? -86.22 158.23 19.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.064 -0.516 . . . . 74.41 111.237 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -64.83 -15.78 62.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.808 0.337 . . . . 73.01 111.11 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -63.71 -33.83 76.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.444 0.64 . . . . 73.12 110.709 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.8 -24.81 10.66 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 115.608 -0.724 . . . . 65.2 111.897 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 m -66.97 157.07 34.27 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.889 0.375 . . . . 62.44 111.618 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.498 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -119.5 -178.36 3.59 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.509 0.559 . . . . 74.22 112.509 179.163 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.56 166.39 8.24 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.26 -0.645 . . . . 75.4 109.26 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 3.1 ptm180 -138.52 134.86 34.47 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.725 -0.609 . . . . 63.54 111.497 176.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -124.37 113.74 18.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.192 0.52 . . . . 74.25 111.846 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.77 81.78 0.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.069 0.461 . . . . 72.35 110.601 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.583 ' HH ' ' HA ' ' A' ' 25' ' ' LYS . 40.2 p90 -52.86 -25.86 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.64 0.978 . . . . 70.34 113.64 -174.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 120.665 0.269 . . . . 65.22 111.595 179.286 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 CA--C 1.541 0.873 0 N-CA-C 113.627 0.587 . . . . 74.42 113.627 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.486 HG21 ' NH1' ' A' ' 51' ' ' ARG . 2.3 mp -68.8 94.09 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.031 0.443 . . . . 64.5 110.273 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 113.87 24.54 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.325 -0.398 . . . . 72.24 110.941 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -131.6 117.07 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.367 -0.378 . . . . 65.32 111.109 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.8 27.13 15.62 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.456 0.539 . . . . 73.25 112.456 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.2 63.29 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.468 -0.396 . . . . 74.44 113.142 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -99.33 109.53 22.13 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 122.516 -0.402 . . . . 75.55 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -91.98 109.17 20.51 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.077 0.465 . . . . 72.31 111.582 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -100.5 104.02 15.38 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.411 -0.359 . . . . 74.42 111.269 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.17 68.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.213 0.53 . . . . 65.43 111.396 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 9.1 tpp180 -110.49 130.3 55.59 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.264 -0.425 . . . . 41.03 111.06 177.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HE3' HD23 ' A' ' 21' ' ' LEU . 52.9 tptt -55.65 -41.55 73.75 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.96 0.41 . . . . 64.01 111.19 175.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.11 70.26 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.737 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 28.5 t0 -66.43 -42.11 88.19 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.296 0.569 . . . . 74.41 110.14 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' MET . . . -59.84 -48.7 80.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.941 -0.572 . . . . 73.12 111.075 173.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD23 ' HE3' ' A' ' 17' ' ' LYS . 80.3 mt -60.26 -37.11 79.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.961 -0.563 . . . . 74.01 111.219 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.96 -61.68 2.45 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.049 -0.523 . . . . 60.1 110.993 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.3 -46.47 62.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.937 0.399 . . . . 74.41 111.626 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.49 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 66.6 mtt -57.4 -42.38 82.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.141 -0.481 . . . . 71.22 111.528 178.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HA ' ' HB3' ' A' ' 28' ' ' LEU . 52.0 tttp -82.5 -22.07 35.23 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.634 0.605 . . . . 72.23 112.634 -177.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.5 t -59.9 -47.29 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.898 -0.501 . . . . 71.4 110.699 175.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 25.5 ptt? -73.7 -36.21 65.24 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.379 -0.373 . . . . 70.33 111.102 175.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB3' ' HA ' ' A' ' 25' ' ' LYS . 57.1 tp -56.79 -44.91 82.38 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.073 0.463 . . . . 75.32 111.548 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.3 -14.08 60.85 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.071 -0.513 . . . . 73.24 111.773 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -79.54 -33.85 41.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.938 0.399 . . . . 74.53 110.631 175.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -84.55 175.86 9.0 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.161 0.505 . . . . 64.02 111.266 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -119.99 155.34 55.47 Favored Pre-proline 0 N--CA 1.469 0.482 0 CA-C-N 116.295 -0.411 . . . . 75.31 111.099 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.23 75.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.76 2.307 . . . . 71.14 112.578 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.11 -10.66 0.76 Allowed Glycine 0 CA--C 1.528 0.874 0 CA-C-N 114.823 -1.081 . . . . 70.15 112.913 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.84 152.27 20.83 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.336 0.589 . . . . 74.32 112.192 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.28 144.51 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.829 -0.623 . . . . 73.21 111.586 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.69 145.35 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 116.479 -0.328 . . . . 74.4 111.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -64.92 162.13 17.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.041 0.448 . . . . 51.12 111.611 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.9 -42.07 99.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.885 0.374 . . . . 71.2 111.308 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.23 -54.3 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.031 0.443 . . . . 74.43 111.824 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 49.0 m-20 -71.8 -29.2 64.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.081 0.467 . . . . 73.04 111.031 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.69 -43.23 99.53 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.254 -0.498 . . . . 75.44 112.767 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.78 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.986 0.422 . . . . 64.31 111.514 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.4 -46.39 88.83 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.111 -0.495 . . . . 70.53 110.691 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.73 -39.47 94.18 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.961 -0.563 . . . . 65.12 111.532 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.504 HG13 ' HE2' ' A' ' 50' ' ' LYS . 61.4 t -58.41 -50.6 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 120.735 0.303 . . . . 70.11 110.919 177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -56.85 -48.16 78.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.115 0.483 . . . . 73.42 111.278 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -33.01 67.56 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.142 -0.481 . . . . 63.33 111.409 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 HD12 ' A' ' 80' ' ' ILE . 56.6 tp -74.2 -44.47 53.19 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.293 -0.412 . . . . 72.13 111.588 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HE2' HG13 ' A' ' 46' ' ' VAL . 68.8 mttm -50.52 -49.31 56.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 71.23 112.224 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.486 ' NH1' HG21 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -80.2 37.8 0.39 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -173.749 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -134.4 150.48 74.01 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.634 0.374 . . . . 72.22 111.313 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.03 -19.32 68.78 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.477 2.118 . . . . 72.24 112.756 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.34 -5.65 56.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.26 -0.427 . . . . 70.55 111.959 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.54 -68.46 0.19 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.402 0.89 . . . . 73.2 113.402 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -51.31 -32.43 25.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.806 0.669 . . . . 74.54 112.806 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -77.23 -46.32 23.58 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.098 0.475 . . . . 71.02 111.59 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.655 ' HG2' ' HG2' ' A' ' 88' ' ' GLU . 56.1 mttp -87.1 -2.62 58.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.562 0.578 . . . . 73.55 112.562 -175.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -107.2 -52.98 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.995 0.426 . . . . 64.5 110.911 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.57 12.99 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.975 -0.631 . . . . 53.43 112.052 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -78.67 -40.93 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.443 2.095 . . . . 74.54 112.718 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.34 176.86 48.24 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.981 -0.628 . . . . 72.2 113.5 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.24 130.24 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.827 0.346 . . . . 62.41 111.375 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.76 -54.93 4.55 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 120.806 0.336 . . . . 73.31 110.141 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -168.22 -177.41 3.26 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.286 -0.416 . . . . 72.05 111.162 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -119.85 145.42 46.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.743 0.306 . . . . 72.33 111.277 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -126.86 134.75 50.44 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.882 0.372 . . . . 73.34 111.534 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.9 t -91.09 106.27 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.701 0.286 . . . . 74.34 111.232 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -119.77 154.2 34.56 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.232 -0.292 . . . . 72.31 110.756 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 120.816 0.341 . . . . 73.2 111.108 178.468 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.487 ' HB2' HD22 ' A' ' 28' ' ' LEU . 43.8 mt-30 . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 120.554 0.216 . . . . 62.53 110.658 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -141.8 139.83 32.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.956 0.408 . . . . 73.34 111.697 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -82.87 115.96 21.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.207 -0.451 . . . . 72.42 111.261 176.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -95.97 129.11 43.33 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.343 0.592 . . . . 74.32 111.53 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.549 HD12 HD23 ' A' ' 49' ' ' LEU . 33.5 mt -90.58 109.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.599 -0.728 . . . . 72.21 111.353 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -82.18 92.63 6.92 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.167 0.508 . . . . 71.52 110.092 175.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' NH2' ' HB2' ' A' ' 88' ' ' GLU . 81.9 mtm180 -73.98 143.61 45.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.02 -0.536 . . . . 72.11 112.041 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.7 p -63.68 -13.76 45.83 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.237 0.542 . . . . 62.31 111.128 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.82 -27.54 51.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.565 -0.743 . . . . 62.5 111.562 172.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.84 22.76 11.63 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.311 -0.471 . . . . 74.25 112.138 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 m -151.18 136.45 17.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.626 0.371 . . . . 71.21 111.023 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -87.2 174.22 8.74 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 120.768 0.318 . . . . 73.35 111.802 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.655 ' HG2' ' HG2' ' A' ' 58' ' ' LYS . 8.6 tp10 -169.65 144.27 2.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.737 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -106.37 152.42 23.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.177 0.513 . . . . 75.32 111.968 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -137.34 123.83 20.84 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 73.35 110.785 174.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.1 m -80.38 86.19 5.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.109 0.481 . . . . 51.34 111.352 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -51.47 -36.02 42.47 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.793 0.664 . . . . 73.01 112.793 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.725 0.639 . . . . 73.52 112.725 -177.182 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo . . . . . 0 CA--C 1.541 0.867 0 N-CA-C 113.363 0.486 . . . . 55.23 113.363 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -78.03 96.56 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.42 -0.354 . . . . 62.14 110.54 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 32.3 tt0 -83.21 120.09 25.37 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.037 0.446 . . . . 73.24 111.362 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.8 mt -129.35 109.73 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.066 -0.516 . . . . 71.33 110.273 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.87 34.44 24.35 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.279 0.562 . . . . 75.11 111.197 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.3 -26.63 16.5 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 116.016 -0.538 . . . . 38.72 112.97 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -74.81 98.15 3.44 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 74.52 111.119 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 8.0 pt-20 -95.74 103.29 15.16 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.262 0.553 . . . . 51.32 112.099 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -90.77 126.51 36.03 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.316 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.45 -17.89 64.29 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.01 0.433 . . . . 64.21 112.092 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.2 ptt85 -144.79 142.47 30.01 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.087 -0.506 . . . . 71.33 111.256 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -39.32 90.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.982 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.58 68.37 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.131 0.419 . . . . 71.43 112.131 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 12.2 t70 -67.79 -40.71 83.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.19 0.519 . . . . 63.0 110.491 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.17 90.11 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.04 -0.527 . . . . 73.31 111.062 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.63 -48.04 82.67 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.908 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -57.82 -50.89 71.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.222 -0.444 . . . . 63.42 111.328 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -52.46 -55.36 22.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.923 0.392 . . . . 75.11 111.665 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.521 ' HA ' ' HE3' ' A' ' 27' ' ' MET . 77.7 mtm -65.12 -31.0 71.98 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.081 0.4 . . . . 73.4 112.081 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HD2' HD23 ' A' ' 28' ' ' LEU . 26.9 tptp -70.99 -39.48 72.41 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.218 -0.301 . . . . 74.05 111.453 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 22' ' ' ALA . 70.8 t -50.1 -60.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.611 0.243 . . . . 73.32 111.604 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.603 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 24.8 ptt? -60.7 -37.61 82.26 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.752 0.31 . . . . 75.13 110.878 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD23 ' HD2' ' A' ' 25' ' ' LYS . 28.1 tp -57.99 -32.26 67.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.356 -0.383 . . . . 74.11 111.591 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 25' ' ' LYS . 67.6 m-80 -66.87 -35.06 79.16 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 122.174 -0.328 . . . . 50.43 111.353 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -79.36 -29.9 42.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.914 0.388 . . . . 75.43 111.933 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -86.08 111.41 20.3 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.875 0.369 . . . . 73.31 110.658 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -75.14 163.98 64.37 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 122.347 -0.22 . . . . 70.3 111.005 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.33 76.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.301 2.001 . . . . 74.34 111.448 171.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.39 -11.78 0.26 Allowed Glycine 0 CA--C 1.528 0.897 0 CA-C-N 114.324 -1.307 . . . . 63.42 112.832 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.43 147.83 27.62 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.348 0.594 . . . . 73.31 112.439 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -92.61 136.91 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.615 -0.721 . . . . 61.3 110.318 171.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.22 142.23 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.44 -0.346 . . . . 75.41 111.127 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.9 p -63.77 171.05 2.93 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.295 0.569 . . . . 72.24 112.136 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.4 m -68.93 -37.33 78.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.055 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.6 t -65.22 -59.57 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.906 0.384 . . . . 65.55 111.175 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 48.2 m-20 -63.28 -36.85 85.03 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.203 0.525 . . . . 73.45 110.819 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -60.81 -41.5 99.18 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 116.069 -0.514 . . . . 63.1 112.907 176.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.86 80.19 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.137 0.494 . . . . 71.34 111.129 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.1 -49.13 78.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.877 -0.601 . . . . 72.25 110.709 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.26 -39.97 80.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.126 -0.488 . . . . 71.12 111.998 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' GLY . 95.4 t -57.16 -52.21 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 120.728 0.299 . . . . 73.11 111.141 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.97 -37.53 87.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 111.923 0.342 . . . . 64.32 111.923 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.72 -34.59 76.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.234 0.54 . . . . 72.1 111.066 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 80' ' ' ILE . 56.4 tp -74.18 -51.34 15.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.179 -0.464 . . . . 73.21 111.343 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -50.43 -31.8 16.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.367 0.877 . . . . 71.35 113.367 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -84.55 24.64 0.98 Allowed 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.992 -0.442 . . . . 72.32 112.096 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -107.21 149.46 38.71 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 122.826 0.45 . . . . 74.31 111.066 172.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.77 -25.6 28.38 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.256 1.971 . . . . 64.52 111.977 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.13 -1.49 57.93 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.0 -0.546 . . . . 75.0 111.894 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -50.02 -55.29 15.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.544 0.572 . . . . 75.21 112.544 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -47.7 -47.58 29.82 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.546 0.572 . . . . 65.34 112.546 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.0 m -70.56 -34.23 71.99 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.09 0.472 . . . . 72.34 111.301 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 12.4 tppt? -75.46 -28.95 59.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.93 -0.577 . . . . 72.13 111.293 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.437 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 79.5 mt -81.91 -41.33 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.487 -0.324 . . . . 74.43 111.409 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.39 19.69 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 114.065 0.386 . . . . 63.25 114.065 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 94.7 Cg_endo -75.05 -20.74 16.46 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.734 2.289 . . . . 71.02 114.056 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.58 161.77 10.17 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.727 -0.749 . . . . 38.72 113.502 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.576 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 53.1 t -84.64 112.77 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 120.939 0.399 . . . . 75.35 111.864 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HG2' ' ND2' ' A' ' 65' ' ' ASN . 76.7 ttt180 -91.86 -61.0 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.7 0.286 . . . . 54.34 110.933 177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.405 ' ND2' ' HG2' ' A' ' 64' ' ' ARG . 8.9 p30 -170.01 -175.3 1.99 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.006 0.432 . . . . 72.3 111.402 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.42 134.18 51.06 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.005 -0.543 . . . . 72.4 110.339 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -128.65 137.1 51.47 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.854 0.359 . . . . 61.45 111.138 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.42 136.48 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.589 0.588 . . . . 73.22 112.589 -176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.491 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 36.0 ttt180 -146.21 152.7 39.64 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.742 -0.663 . . . . 73.22 109.612 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.473 0.711 0 O-C-N 121.991 -0.443 . . . . 71.44 111.435 -179.151 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 120.89 0.376 . . . . 70.3 111.728 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.556 ' SG ' ' HD2' ' A' ' 89' ' ' ARG . 46.3 t -158.75 148.15 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.845 0.355 . . . . 73.32 111.37 175.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -83.38 118.31 23.62 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.391 -0.368 . . . . 73.43 111.365 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 15.7 m95 -93.88 134.66 36.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.249 0.547 . . . . 75.23 111.243 175.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 HD23 ' A' ' 49' ' ' LEU . 65.7 mt -92.47 109.66 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.783 -0.644 . . . . 74.33 112.23 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.12 127.21 34.15 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.336 0.589 . . . . 74.34 111.514 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.576 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 5.2 mmp_? -100.09 154.34 18.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.858 -0.61 . . . . 71.42 111.159 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p -54.55 -43.41 71.98 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.257 0.465 . . . . 73.25 112.257 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.525 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 0.7 OUTLIER -70.9 10.83 0.47 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.247 0.832 . . . . 75.04 113.247 178.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.1 51.45 10.2 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.987 -0.625 . . . . 42.52 113.3 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 t -128.32 138.11 52.24 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.225 -0.287 . . . . 72.12 110.225 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.505 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -127.92 121.33 29.67 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.54 0.686 . . . . 72.23 112.341 -177.015 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -145.09 141.15 28.56 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.11 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.556 ' HD2' ' SG ' ' A' ' 77' ' ' CYS . 50.4 ptt85 -97.38 -178.83 4.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.525 0.678 . . . . 75.32 112.106 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -138.75 121.36 16.27 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.417 -0.81 . . . . 74.34 110.191 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.0 m -68.56 75.25 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.353 0.597 . . . . 73.22 111.428 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -56.66 -24.5 49.02 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.69 -0.686 . . . . 75.02 112.392 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.8 pttt . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.447 0.536 . . . . 72.42 112.447 -178.503 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 CA--C 1.538 0.713 0 CA-C-O 120.654 0.189 . . . . 72.25 111.696 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.532 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 3.0 mp -67.27 90.72 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.06 0.457 . . . . 64.32 110.49 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.7 tm-20 -102.37 110.11 21.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.555 . . . . 74.1 111.096 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.0 mt -125.22 121.61 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.767 -0.652 . . . . 71.14 111.004 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.9 26.68 15.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.339 0.496 . . . . 73.04 112.339 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.87 -0.22 69.49 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.294 -0.479 . . . . 51.13 113.28 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -103.52 103.43 13.39 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.623 -0.339 . . . . 75.21 110.501 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 11.3 pt-20 -89.33 141.12 28.82 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.248 0.547 . . . . 75.42 111.653 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.532 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 90.2 m-85 -126.27 123.15 37.47 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.017 -0.538 . . . . 74.01 111.112 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -23.19 66.85 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.263 0.468 . . . . 73.14 112.263 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -147.35 143.09 27.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.528 -0.306 . . . . 72.41 110.601 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -39.58 79.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.911 0.386 . . . . 73.2 111.342 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.98 -23.49 61.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.162 0.43 . . . . 74.21 112.162 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.2 -35.89 48.02 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.066 0.46 . . . . 61.04 110.838 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 93.02 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.121 -0.49 . . . . 43.32 111.289 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 93' ' ' LYS . 70.7 mt -56.42 -42.6 78.32 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.26 -0.427 . . . . 75.21 111.131 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -57.66 -49.87 75.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.991 -0.549 . . . . 61.24 111.279 177.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.35 -48.47 74.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.931 0.396 . . . . 63.32 111.398 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.46 ' HA ' ' HE1' ' A' ' 27' ' ' MET . 66.0 mtt -58.0 -40.73 81.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.304 -0.407 . . . . 45.11 111.218 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -64.2 -45.94 86.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.839 0.352 . . . . 70.04 110.465 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' ALA . 94.1 t -55.67 -52.96 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 111.906 0.336 . . . . 71.12 111.906 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.46 ' HE1' ' HA ' ' A' ' 24' ' ' MET . 26.8 ptt? -68.09 -28.06 67.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.087 -0.383 . . . . 74.3 111.22 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 76' ' ' GLN . 47.8 tp -69.85 -18.42 63.43 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.098 0.475 . . . . 75.23 111.037 174.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.516 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -94.24 -29.8 14.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.037 0.446 . . . . 65.25 110.853 172.442 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -60.8 -38.87 86.85 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.312 0.577 . . . . 74.23 110.399 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.96 115.09 28.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 73.4 110.471 172.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' A' ' 34' ' ' GLY . 48.8 mtm180 -63.52 160.67 41.16 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.305 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HA ' HG13 ' A' ' 68' ' ' VAL . 37.5 Cg_endo -65.12 25.29 0.08 OUTLIER 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 122.778 2.319 . . . . 73.34 114.164 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -152.37 24.89 0.87 Allowed Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.689 -0.291 . . . . 63.33 112.616 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -118.05 161.77 19.28 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.353 0.597 . . . . 72.11 112.209 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -97.56 132.85 41.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.654 -0.703 . . . . 74.4 111.153 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 55.9 t -72.32 128.0 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 116.451 -0.341 . . . . 62.3 111.042 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.4 t -72.71 178.35 4.21 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.981 0.42 . . . . 64.52 112.043 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.5 m -60.08 -48.44 81.72 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.945 0.72 . . . . 64.2 112.945 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.25 -59.27 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.003 0.43 . . . . 74.52 111.954 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.48 -38.57 87.78 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.054 0.454 . . . . 73.42 111.002 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -62.34 -42.98 99.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.118 -0.492 . . . . 42.24 112.912 177.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.61 80.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.866 0.365 . . . . 75.13 111.287 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.26 -40.94 83.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.095 0.474 . . . . 65.21 110.494 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.85 -41.94 82.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.828 -0.624 . . . . 64.22 111.329 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG11 ' HE2' ' A' ' 50' ' ' LYS . 97.5 t -57.26 -47.7 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.928 0.394 . . . . 74.13 111.201 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.42 -43.7 89.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.108 0.48 . . . . 71.24 110.688 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.45 66.19 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.045 -0.525 . . . . 73.52 111.456 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.62 -48.15 12.11 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.277 -0.419 . . . . 63.43 111.091 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HE2' HG11 ' A' ' 46' ' ' VAL . 68.0 mttm -53.84 -28.26 34.67 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.155 0.798 . . . . 71.5 113.155 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -70.58 -14.33 62.45 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.092 0.405 . . . . 74.31 112.092 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -91.5 148.33 37.23 Favored Pre-proline 0 N--CA 1.474 0.775 0 N-CA-C 111.826 0.306 . . . . 72.23 111.826 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.67 -22.76 27.46 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.251 1.967 . . . . 70.44 112.554 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.85 7.64 42.96 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.246 -0.434 . . . . 65.53 111.711 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.47 -53.84 26.65 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.02 0.748 . . . . 54.3 113.02 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -51.21 -33.41 27.56 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.902 0.704 . . . . 75.54 112.902 -175.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.1 m -73.87 -36.18 64.8 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.039 0.447 . . . . 70.2 111.871 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -83.59 -18.03 39.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.808 0.337 . . . . 72.5 111.395 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -82.95 -41.61 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.08 0.467 . . . . 72.34 110.521 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.47 -134.9 41.94 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 116.041 -0.527 . . . . 75.12 112.966 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.73 2.1 8.79 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.645 2.23 . . . . 74.31 113.195 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.6 152.16 5.63 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 121.211 -0.518 . . . . 42.05 113.116 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -94.72 129.19 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.121 0.486 . . . . 73.32 111.318 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 44.3 ttm180 -91.24 -55.4 3.54 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.799 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.417 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.4 p-10 -168.01 -179.45 4.15 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.927 0.394 . . . . 75.3 111.053 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.3 m-85 -119.34 149.27 42.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.801 0.334 . . . . 74.44 110.842 176.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.68 146.48 50.86 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.868 0.366 . . . . 74.22 111.169 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 33' ' ' PRO . 98.5 t -102.45 125.54 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.001 0.429 . . . . 75.14 111.235 177.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -146.08 148.94 33.17 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.456 -0.338 . . . . 75.01 111.178 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 77.9 p . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 121.19 0.519 . . . . 72.55 112.317 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.524 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 121.169 0.509 . . . . 74.01 111.362 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.2 m -142.56 154.26 44.29 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.986 -0.552 . . . . 60.42 110.435 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -89.62 117.43 28.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.039 0.447 . . . . 74.23 111.363 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -94.79 128.47 41.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.884 -0.598 . . . . 73.21 111.749 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.0 mt -89.99 109.98 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.901 0.381 . . . . 72.02 111.53 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.7 mm? -83.95 96.41 8.83 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.859 0.361 . . . . 60.23 110.428 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -79.34 148.4 32.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.585 -0.28 . . . . 74.31 111.407 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -58.4 -25.77 62.49 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.002 0.43 . . . . 74.4 111.254 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.02 -39.11 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.758 -0.655 . . . . 64.32 111.536 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.11 -30.84 6.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.932 -0.576 . . . . 37.32 112.518 -175.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.6 m -78.44 107.0 10.76 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 122.653 -0.322 . . . . 72.45 111.388 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.554 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.65 138.07 36.38 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.066 0.46 . . . . 73.24 111.671 178.386 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -136.95 131.63 33.28 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.904 0.383 . . . . 73.01 110.871 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -97.89 157.25 16.2 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.179 0.437 . . . . 71.23 112.179 -175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -132.89 141.5 48.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.961 0.41 . . . . 72.13 111.021 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.71 -16.01 55.38 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.341 0.867 . . . . 73.44 113.341 -173.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 p90 57.77 -61.11 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.91 1.284 . . . . 71.22 113.944 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HA ' HD22 ' A' ' 21' ' ' LEU . 22.1 ptmt . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 112.76 0.652 . . . . 72.54 112.76 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 CA--C 1.539 0.764 0 CA-C-O 121.123 0.384 . . . . 74.51 112.437 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.1 mp -78.07 96.29 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.892 0.377 . . . . 74.12 110.686 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -92.8 120.45 33.18 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.82 0.343 . . . . 75.42 111.47 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -132.93 115.02 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.556 -0.293 . . . . 65.13 110.993 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.44 31.38 20.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.526 0.565 . . . . 70.05 112.526 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.81 8.09 80.23 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.041 -0.6 . . . . 51.23 113.063 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -107.16 106.15 16.49 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.935 -0.394 . . . . 71.34 109.935 175.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -89.69 114.41 26.06 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.409 0.623 . . . . 54.43 111.414 -179.051 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -96.45 131.71 42.75 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.29 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.6 57.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.02 0.748 . . . . 73.24 113.02 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HG2' ' HB2' ' A' ' 19' ' ' ASP . 23.2 ptt-85 -165.27 160.39 18.3 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.371 0.268 . . . . 72.53 110.448 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.6 tmtt? -59.15 -42.05 89.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.782 0.325 . . . . 65.45 110.852 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -24.95 67.49 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.228 -0.442 . . . . 65.31 111.77 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 38.4 t0 -71.21 -43.21 67.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.202 0.525 . . . . 73.22 109.976 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.041 -0.527 . . . . 63.12 111.042 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 78.7 mt -64.0 -39.47 94.19 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.128 -0.487 . . . . 73.45 110.993 177.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -60.17 -45.34 93.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.877 0.37 . . . . 75.52 111.299 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' O ' ' HG2' ' A' ' 27' ' ' MET . 71.9 t80 -58.38 -59.99 4.49 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.321 -0.4 . . . . 70.35 111.093 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtm -56.17 -29.18 60.48 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.114 0.413 . . . . 71.45 112.114 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -47.44 73.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.377 -0.202 . . . . 62.23 111.255 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 22' ' ' ALA . 88.9 t -56.52 -55.03 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.003 0.43 . . . . 65.42 111.384 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 13.5 ptm -60.93 -37.21 81.53 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.222 -0.445 . . . . 73.3 111.717 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.0 -40.19 94.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.97 0.415 . . . . 72.01 111.48 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.45 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.85 -31.28 71.79 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.867 0.365 . . . . 74.43 111.399 179.436 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.35 -33.62 75.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.028 -0.533 . . . . 74.41 112.128 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.441 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 79.9 m-85 -100.47 141.58 33.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.322 0.582 . . . . 75.33 112.327 -177.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -86.26 166.49 28.12 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.724 -0.671 . . . . 73.04 110.505 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 25.0 Cg_exo -62.24 72.76 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.516 2.144 . . . . 62.21 112.366 173.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.1 -15.24 0.23 Allowed Glycine 0 CA--C 1.529 0.922 0 CA-C-N 115.369 -0.832 . . . . 65.33 113.351 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 54.6 m-20 -79.12 144.11 34.85 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.49 0.662 . . . . 71.2 112.006 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -89.13 138.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.64 -0.709 . . . . 75.3 111.054 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.21 142.65 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.673 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -76.57 177.05 7.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.228 0.537 . . . . 72.21 112.099 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.9 m -65.7 -28.8 69.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.132 -0.486 . . . . 71.14 111.35 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -73.34 -68.5 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.383 -0.371 . . . . 64.42 111.374 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -28.71 65.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.769 0.318 . . . . 64.31 111.481 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -55.96 -47.23 81.28 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 121.151 -0.547 . . . . 54.5 112.785 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.73 98.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.992 0.425 . . . . 64.14 111.124 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -54.72 -49.1 71.58 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.854 -0.612 . . . . 72.41 111.03 175.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.5 mt -61.52 -39.12 89.86 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.128 -0.487 . . . . 72.32 111.991 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 42' ' ' GLY . 84.9 t -60.22 -47.14 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.719 0.295 . . . . 60.52 111.364 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.7 -45.1 91.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.874 0.369 . . . . 72.21 111.258 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.95 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.184 0.516 . . . . 73.41 111.025 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.42 -60.84 2.38 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.519 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -51.57 -32.64 29.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.112 1.153 . . . . 73.55 114.112 -172.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.28 15.45 0.33 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.886 -0.509 . . . . 71.31 112.325 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -112.9 137.95 22.02 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 122.662 0.385 . . . . 74.43 110.358 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.75 -34.51 98.31 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.656 2.237 . . . . 74.31 113.228 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.19 -5.94 59.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.413 0.523 . . . . 55.44 112.413 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -53.62 -45.28 70.06 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.76 0.652 . . . . 61.31 112.76 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -50.61 -35.67 31.42 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.651 0.611 . . . . 73.35 112.651 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -63.89 -22.04 66.73 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.973 0.416 . . . . 71.45 111.802 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 41.3 mttm -113.55 15.07 19.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.369 0.604 . . . . 64.44 111.329 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.467 ' HA ' HH11 ' A' ' 82' ' ' ARG . 74.9 mt -104.75 -50.05 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.144 -0.48 . . . . 61.03 110.007 171.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.99 -111.51 3.63 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 116.076 -0.511 . . . . 72.44 113.725 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.84 -31.87 6.13 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.491 2.127 . . . . 51.23 112.987 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.98 165.97 14.73 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.655 -0.783 . . . . 71.51 114.129 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.524 HG12 ' NH2' ' A' ' 82' ' ' ARG . 68.6 t -87.78 120.65 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 122.634 0.373 . . . . 73.23 111.307 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -90.38 -46.87 8.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.01 0.433 . . . . 71.03 110.662 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 6.5 p30 -174.58 -169.7 0.45 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.958 -0.564 . . . . 72.11 110.849 175.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.25 139.98 47.24 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.511 0.324 . . . . 75.31 110.66 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -117.46 151.66 36.62 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.981 0.42 . . . . 73.43 110.996 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 31' ' ' TYR . 83.3 t -103.47 116.51 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.429 -0.35 . . . . 74.3 110.722 176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.622 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -132.61 153.55 50.93 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 122.383 -0.198 . . . . 62.24 111.512 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 114.541 1.311 . . . . 70.24 114.541 -171.535 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 120.921 0.391 . . . . 65.21 110.815 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 96.7 m -137.27 153.69 50.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.345 -0.389 . . . . 64.22 110.645 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.02 117.7 24.15 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.099 0.476 . . . . 74.21 110.598 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.622 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 29.9 m95 -95.61 137.05 35.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.886 0.85 . . . . 73.21 112.652 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.4 mt -81.82 91.02 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.594 -1.185 . . . . 70.42 111.889 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 87' ' ' GLU . 4.4 mm? -81.66 117.04 21.69 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.158 0.504 . . . . 75.22 110.885 175.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.524 ' NH2' HG12 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -102.36 149.98 23.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.967 0.413 . . . . 71.01 111.968 -178.564 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.2 p -60.83 -19.52 59.96 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.178 0.514 . . . . 74.41 110.874 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.74 -50.55 60.37 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.602 -0.726 . . . . 75.03 111.427 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.6 -32.92 2.41 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.028 -0.533 . . . . 75.05 112.58 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.9 p -86.17 169.63 12.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.037 0.446 . . . . 75.22 111.495 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.528 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -133.73 137.94 45.52 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.281 0.562 . . . . 75.24 112.002 177.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.19 -171.74 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.379 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -141.94 139.11 32.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.076 -0.39 . . . . 73.32 111.561 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -131.7 128.76 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.335 0.588 . . . . 74.1 110.763 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.5 p -94.29 105.55 17.54 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.404 0.621 . . . . 73.1 111.084 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -54.55 -23.34 16.21 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.289 0.848 . . . . 75.33 113.289 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 pttp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.859 0.361 . . . . 73.31 111.517 179.48 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 CA--C 1.543 0.941 0 N-CA-C 113.45 0.519 . . . . 63.12 113.45 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.0 mp -93.08 102.5 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.237 -0.438 . . . . 73.24 111.341 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.99 111.74 22.7 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.042 0.449 . . . . 74.01 110.07 177.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.39 116.06 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 116.144 -0.48 . . . . 73.22 111.929 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.46 25.83 13.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.384 0.883 . . . . 42.01 113.384 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.08 -2.56 35.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.121 -0.561 . . . . 62.32 113.255 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -111.07 111.94 23.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.055 0.455 . . . . 60.42 111.186 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -92.42 133.13 36.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.01 -0.541 . . . . 55.12 111.471 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 73.2 m-85 -129.79 129.93 44.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.069 -0.514 . . . . 75.03 111.075 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.69 -37.22 76.53 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.146 0.425 . . . . 74.4 112.146 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.99 173.68 8.98 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.199 0.523 . . . . 70.21 111.635 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -43.23 65.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.184 -0.462 . . . . 54.2 111.22 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.15 -28.37 52.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.022 -0.536 . . . . 65.15 112.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 98.3 m-20 -61.45 -57.72 11.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.271 -0.422 . . . . 64.34 111.759 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.61 81.98 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.089 0.471 . . . . 37.51 111.345 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 93' ' ' LYS . 80.6 mt -61.19 -42.71 99.06 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.016 -0.538 . . . . 71.13 111.19 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.345 -0.389 . . . . 51.1 111.295 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.09 -51.27 64.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.035 0.445 . . . . 72.05 111.275 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.509 ' HA ' ' HE1' ' A' ' 27' ' ' MET . 76.7 mtm -65.49 -39.69 92.2 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.558 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -62.03 -37.02 83.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.923 0.342 . . . . 71.44 111.923 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 22' ' ' ALA . 89.2 t -61.38 -60.41 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.715 0.293 . . . . 63.15 111.311 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.509 ' HE1' ' HA ' ' A' ' 24' ' ' MET . 26.9 ptt? -62.33 -32.6 73.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.738 0.304 . . . . 72.11 111.347 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.77 -46.41 81.49 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.072 0.463 . . . . 75.3 110.99 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -80.77 -3.2 50.07 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.824 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.6 tmt_? -83.68 -44.09 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.735 -0.468 . . . . 74.35 109.735 174.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HB2' HG21 ' A' ' 68' ' ' VAL . 94.1 m-85 -80.77 144.48 32.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.012 0.434 . . . . 75.13 110.889 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 47.0 mtm180 -96.89 163.47 20.08 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.66 -0.245 . . . . 74.32 110.666 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 45.3 Cg_exo -56.69 76.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.636 2.224 . . . . 64.24 113.083 177.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 155.08 -21.0 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 CA-C-N 115.274 -0.875 . . . . 61.01 113.81 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.05 142.96 41.65 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.228 0.537 . . . . 37.51 111.936 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -90.5 132.83 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.979 -0.555 . . . . 75.11 111.344 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.18 140.04 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 73.11 111.587 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -66.39 169.36 7.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.068 0.461 . . . . 73.02 112.1 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -64.87 -51.04 64.17 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.192 -0.458 . . . . 75.32 112.194 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.55 -49.81 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 121.091 0.472 . . . . 73.12 111.137 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.54 -45.63 69.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.966 -0.561 . . . . 72.41 111.128 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -63.89 -42.19 98.48 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 115.986 -0.552 . . . . 73.22 113.048 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.75 74.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.05 0.453 . . . . 71.13 111.117 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.04 -45.97 91.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.294 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.1 -38.24 88.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.941 -0.572 . . . . 72.5 111.862 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 42' ' ' GLY . 89.7 t -62.06 -51.19 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 120.732 0.301 . . . . 70.43 111.189 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.27 -38.51 89.59 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.879 0.371 . . . . 55.3 111.099 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.45 80.81 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.171 0.51 . . . . 75.35 111.144 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.99 -42.96 75.82 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.035 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -55.1 -29.7 58.17 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.118 0.784 . . . . 62.02 113.118 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -86.89 22.13 2.08 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.891 -0.505 . . . . 74.41 111.725 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -116.54 143.63 31.63 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 122.676 0.39 . . . . 62.4 110.163 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.56 -47.18 26.95 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.536 2.157 . . . . 73.13 113.583 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.46 15.87 3.45 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.427 0.528 . . . . 63.03 112.427 -176.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.8 -65.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.242 0.46 . . . . 72.41 112.242 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -52.19 -36.68 52.56 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.269 0.47 . . . . 55.51 112.269 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.5 m -65.57 -29.69 70.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.791 0.329 . . . . 53.12 111.652 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD2' ' HG2' ' A' ' 88' ' ' GLU . 72.4 mmtt -99.47 -12.7 19.97 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.158 0.429 . . . . 73.21 112.158 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.9 mt -86.23 -45.99 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.991 0.424 . . . . 72.22 110.782 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.29 -114.8 6.83 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 116.14 -0.482 . . . . 61.15 113.071 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -76.46 -22.59 12.22 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.589 2.193 . . . . 73.25 112.92 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.83 159.72 8.97 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.279 -0.486 . . . . 61.15 113.245 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 126.89 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.972 0.415 . . . . 73.05 111.271 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.14 -53.67 5.36 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.007 0.432 . . . . 54.44 109.967 178.279 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -167.82 -173.31 2.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.992 0.425 . . . . 75.52 111.08 174.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -123.52 143.76 49.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.495 -0.32 . . . . 75.14 110.987 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -121.83 135.64 54.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.728 0.299 . . . . 71.33 110.621 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.514 HG21 ' HB2' ' A' ' 31' ' ' TYR . 86.9 t -91.94 121.54 42.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 64.45 111.947 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 87.3 mtt180 -137.04 -167.72 2.14 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.599 . . . . 74.22 110.625 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 121.028 0.442 . . . . 73.31 111.531 177.802 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.009 0.433 . . . . 73.11 111.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.0 t -144.18 149.42 36.42 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.048 0.452 . . . . 74.05 111.705 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -85.81 126.99 34.44 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.662 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.445 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 38.6 m95 -101.82 125.1 48.42 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.961 0.41 . . . . 62.44 111.127 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.46 105.8 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.167 -0.47 . . . . 72.45 111.533 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -85.96 101.07 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.143 0.497 . . . . 72.3 110.063 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 39.5 mtm180 -80.15 152.66 29.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 74.54 111.734 -176.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.1 p -61.04 -19.82 61.83 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.382 0.61 . . . . 73.41 110.85 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.21 -35.91 62.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.207 -0.906 . . . . 73.14 111.788 172.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.84 -24.03 10.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 62.31 112.794 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -92.71 163.36 13.78 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.415 0.626 . . . . 63.22 111.981 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.514 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.9 pt-20 -118.18 158.63 24.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.905 -0.588 . . . . 74.41 112.298 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.54 ' HG2' ' HD2' ' A' ' 58' ' ' LYS . 9.0 tp10 -139.9 162.96 33.93 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.019 -0.537 . . . . 72.54 110.711 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -130.8 130.69 44.0 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.755 0.312 . . . . 74.24 111.747 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -130.39 126.38 36.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.181 0.515 . . . . 75.12 111.713 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -74.41 92.07 2.29 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.95 0.405 . . . . 63.51 111.292 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -45.34 -40.57 7.99 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.838 1.051 . . . . 71.54 113.838 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.492 ' HA ' HD22 ' A' ' 21' ' ' LEU . 62.9 pttt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 113.572 0.953 . . . . 75.24 113.572 -172.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 CA--C 1.536 0.62 0 CA-C-O 120.741 0.226 . . . . 72.5 111.554 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mp -70.84 91.53 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.064 0.459 . . . . 72.1 110.917 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -95.9 113.5 25.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.792 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -129.67 120.4 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.528 -0.306 . . . . 63.32 111.446 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.6 31.28 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.838 0.681 . . . . 54.22 112.838 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.95 27.18 29.46 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.15 -0.548 . . . . 75.03 113.084 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -132.76 114.07 13.69 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.591 -0.359 . . . . 72.43 110.328 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.58 124.28 41.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.246 0.546 . . . . 50.4 111.855 -176.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 96.7 m-85 -115.97 149.63 38.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.97 0.414 . . . . 74.45 111.714 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.13 -25.12 37.16 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.672 0.619 . . . . 75.52 112.672 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 10.1 tpp180 -145.18 153.41 41.34 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.692 -0.231 . . . . 72.33 110.798 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 22.0 tptm -56.78 -44.92 82.32 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.876 -0.515 . . . . 74.52 111.058 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -23.37 67.3 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.301 -0.409 . . . . 65.35 111.944 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 25.8 t0 -69.1 -42.89 75.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.104 0.478 . . . . 73.45 110.541 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.89 95.4 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.147 0.499 . . . . 73.15 111.064 174.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 84.6 mt -60.8 -41.97 96.67 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.969 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -59.14 -47.01 86.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.222 -0.445 . . . . 65.01 111.44 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -55.7 -49.76 72.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.875 0.369 . . . . 73.43 111.195 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.483 ' HG2' ' HE2' ' A' ' 27' ' ' MET . 75.8 mtm -60.37 -37.87 82.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.442 -0.344 . . . . 73.21 111.39 177.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.38 -38.67 91.83 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.803 0.335 . . . . 75.12 111.241 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.517 HG21 ' O ' ' A' ' 22' ' ' ALA . 80.3 t -57.9 -59.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.451 -0.34 . . . . 70.34 111.198 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.483 ' HE2' ' HG2' ' A' ' 24' ' ' MET . 27.0 ptt? -63.84 -31.15 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.857 -0.337 . . . . 65.21 111.24 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.36 -44.34 84.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.105 0.479 . . . . 72.41 110.815 174.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.529 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -77.66 -16.6 58.41 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.131 -0.486 . . . . 75.32 111.508 177.667 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -70.15 -43.43 70.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.458 -0.337 . . . . 61.32 110.207 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 81.6 m-85 -89.03 157.97 18.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.963 0.411 . . . . 75.03 111.064 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.568 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 7.3 mpt_? -97.6 158.37 33.16 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-N 116.659 -0.246 . . . . 74.21 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.39 79.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.741 2.294 . . . . 65.24 112.659 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.09 -8.32 0.92 Allowed Glycine 0 CA--C 1.529 0.957 0 CA-C-N 114.472 -1.24 . . . . 74.0 113.062 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.58 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 18.4 m-20 -82.16 139.82 34.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.386 0.613 . . . . 73.54 111.87 -178.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -80.36 131.46 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.063 -0.517 . . . . 72.01 110.972 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.42 128.39 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 120.749 0.309 . . . . 72.32 110.957 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -63.53 169.78 3.62 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.59 0.589 . . . . 73.14 112.59 -175.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.0 m -53.99 -61.39 2.34 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.841 0.682 . . . . 63.25 112.841 -175.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.09 -49.4 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.027 0.442 . . . . 72.4 111.533 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.89 -44.91 70.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.87 -0.605 . . . . 74.41 111.343 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -67.22 -44.71 85.52 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.9 -0.591 . . . . 75.42 112.881 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.26 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.112 0.482 . . . . 54.14 111.267 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.32 -51.16 70.71 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.586 -0.734 . . . . 74.33 110.955 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.06 -36.99 78.54 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.009 -0.542 . . . . 63.31 112.062 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 42' ' ' GLY . 66.3 t -58.97 -50.69 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.856 0.36 . . . . 72.32 111.391 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.45 -39.97 92.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.953 0.406 . . . . 74.23 110.989 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.7 74.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.24 -0.436 . . . . 63.11 111.216 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.27 -44.51 71.75 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.15 -0.477 . . . . 70.52 111.25 177.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' HG11 ' A' ' 46' ' ' VAL . 98.9 mttt -57.41 -24.01 52.88 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.219 0.452 . . . . 72.31 112.219 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -95.15 23.89 5.37 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.262 0.467 . . . . 74.43 112.262 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -100.14 149.82 36.35 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-N 116.59 -0.277 . . . . 73.32 110.959 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.87 -48.7 19.83 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.629 2.22 . . . . 53.35 112.6 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -104.33 66.67 0.82 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.361 0.601 . . . . 63.51 110.817 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.43 -37.08 25.97 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.953 175.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.1 t -50.64 -47.08 58.59 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.897 0.703 . . . . 75.0 112.897 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -22.16 44.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.989 0.366 . . . . 62.21 111.989 -175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -86.36 -23.53 26.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.835 0.35 . . . . 75.42 111.34 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -98.6 -69.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.904 0.383 . . . . 73.03 111.278 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.49 -114.69 4.53 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 121.255 -0.497 . . . . 73.33 112.638 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.547 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 49.1 Cg_endo -68.44 -35.71 17.25 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.445 2.097 . . . . 75.23 113.079 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.68 165.73 18.05 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.124 -0.56 . . . . 70.24 113.086 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 129.56 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 122.526 -0.396 . . . . 63.31 111.308 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -83.47 -52.21 6.7 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.356 -0.384 . . . . 72.31 110.09 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -175.13 178.3 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.918 0.389 . . . . 73.41 110.957 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.77 143.61 46.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.858 0.361 . . . . 72.15 110.718 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -127.81 127.68 43.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.822 0.344 . . . . 71.33 111.28 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 31' ' ' TYR . 88.0 t -76.3 102.31 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.298 0.57 . . . . 73.55 109.74 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.665 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 33.3 ttt180 -136.76 156.55 48.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.878 -0.601 . . . . 62.23 111.347 -167.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.857 0.688 . . . . 72.22 112.857 -174.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 CA--C 1.54 0.574 0 CA-C-O 120.831 0.348 . . . . 73.53 111.705 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -148.55 159.27 44.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.937 0.399 . . . . 74.3 111.162 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -87.36 115.3 24.68 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.916 0.389 . . . . 72.33 111.17 176.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.665 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 25.5 m95 -95.43 132.47 40.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.016 0.436 . . . . 74.23 111.49 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.08 112.08 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 116.042 -0.527 . . . . 71.3 111.403 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 81' ' ' LEU . 3.2 mm? -88.19 124.38 33.77 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.58 -0.526 . . . . 75.14 109.58 172.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -106.42 146.09 30.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.056 0.455 . . . . 74.4 112.099 -174.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -66.21 -19.69 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.361 0.504 . . . . 74.44 112.361 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.547 ' HB3' ' HG3' ' A' ' 61' ' ' PRO . 3.1 p30 -75.72 -25.27 56.48 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.272 -0.268 . . . . 73.51 111.706 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.34 -9.19 8.33 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 121.062 -0.589 . . . . 64.54 113.959 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 m -89.55 152.57 21.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 117.367 0.584 . . . . 65.23 111.862 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.12 141.29 40.18 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.022 0.439 . . . . 74.42 111.545 175.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -145.61 -178.41 6.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.018 0.437 . . . . 73.43 111.216 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -129.4 133.41 47.35 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.318 -0.401 . . . . 75.1 110.686 173.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -107.42 125.07 50.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.174 0.511 . . . . 74.41 111.73 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.8 m -74.37 76.7 1.88 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.071 0.462 . . . . 72.13 111.38 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -55.16 -36.38 65.77 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.046 0.45 . . . . 75.2 111.949 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.6 pttt . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 112.693 0.627 . . . . 73.1 112.693 -178.831 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo . . . . . 0 CA--C 1.536 0.6 0 CA-C-O 120.896 0.29 . . . . 65.01 112.254 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.503 ' N ' HD11 ' A' ' 7' ' ' ILE . 2.4 mp -71.99 93.63 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 120.986 0.422 . . . . 74.42 110.826 -175.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -105.76 109.13 20.98 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.002 0.429 . . . . 64.43 110.656 179.32 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.11 116.76 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 111.991 0.367 . . . . 74.51 111.991 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.06 23.2 12.44 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.054 0.761 . . . . 53.24 113.054 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.49 27.88 9.49 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.228 -0.511 . . . . 74.25 112.501 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 82.6 m-70 -137.64 106.04 5.8 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.418 0.287 . . . . 72.05 110.851 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.0 134.12 34.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.092 0.472 . . . . 72.41 111.772 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 94.4 m-85 -124.99 143.03 51.11 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.006 0.431 . . . . 72.3 111.365 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -40.13 72.18 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.579 0.585 . . . . 74.31 112.579 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.17 166.46 23.34 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.115 -0.366 . . . . 74.33 111.323 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -59.15 -46.46 88.31 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.996 0.427 . . . . 72.12 111.681 -175.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.2 -19.52 65.4 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.307 -0.406 . . . . 75.41 111.84 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 44.8 t0 -66.32 -41.4 89.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.206 0.527 . . . . 72.14 110.613 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.75 60.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.927 -0.579 . . . . 71.34 111.42 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.29 -36.15 81.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.373 -0.376 . . . . 62.1 111.358 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -58.2 -51.96 67.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.399 -0.364 . . . . 53.45 110.425 173.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -50.37 -47.85 55.97 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.986 -0.552 . . . . 63.05 111.408 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.53 ' HA ' ' HE3' ' A' ' 27' ' ' MET . 62.9 mtt -58.29 -51.39 69.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.12 0.486 . . . . 51.44 111.313 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -64.89 -35.58 81.61 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.179 -0.464 . . . . 61.01 111.808 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' ALA . 70.1 t -66.44 -53.28 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 111.636 0.235 . . . . 72.53 111.636 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.53 ' HE3' ' HA ' ' A' ' 24' ' ' MET . 27.4 ptt? -65.66 -28.19 68.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 120.916 -0.313 . . . . 73.22 111.118 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -58.28 -53.35 59.24 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.078 0.466 . . . . 73.42 111.137 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.66 -9.51 50.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.684 0.624 . . . . 71.24 112.684 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 4.0 tmt_? -68.53 -36.33 78.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.162 0.506 . . . . 73.21 109.94 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.465 ' HB2' HG21 ' A' ' 68' ' ' VAL . 56.0 m-85 -93.71 166.41 12.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.911 -0.586 . . . . 70.35 110.678 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.553 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 2.7 mpt_? -103.05 159.35 29.56 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 109.681 -0.488 . . . . 71.15 109.681 174.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -63.14 23.24 0.05 OUTLIER 'Trans proline' 0 CA--C 1.553 1.437 0 C-N-CA 122.974 2.449 . . . . 72.22 115.004 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -138.99 11.35 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 122.054 -0.403 . . . . 62.24 112.691 172.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -105.85 161.28 14.57 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.581 0.705 . . . . 75.43 112.458 -177.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mm -97.85 141.39 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 115.493 -0.776 . . . . 72.12 110.647 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.74 140.4 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.517 -0.31 . . . . 74.23 111.278 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -62.39 166.12 5.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.083 0.468 . . . . 64.41 112.181 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -59.78 -52.94 63.3 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.175 -0.466 . . . . 75.21 112.255 -176.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.87 -53.24 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 121.172 0.51 . . . . 74.42 111.604 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.5 -45.64 69.74 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.92 -0.582 . . . . 72.14 111.18 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -64.14 -41.81 98.27 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 116.077 -0.511 . . . . 74.42 112.756 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.67 76.05 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.008 0.432 . . . . 63.24 111.287 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.62 -46.47 90.16 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.896 -0.593 . . . . 62.32 110.765 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.33 -41.72 97.49 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.041 -0.527 . . . . 73.1 111.896 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.486 HG12 ' HE3' ' A' ' 50' ' ' LYS . 64.9 t -57.52 -52.22 59.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-O 120.969 0.414 . . . . 72.43 111.105 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -65.69 -34.6 78.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.838 0.351 . . . . 74.12 111.265 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.8 97.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.194 0.521 . . . . 72.11 110.875 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.39 -43.39 97.73 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.954 -0.567 . . . . 73.31 110.654 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.5 mttt -61.19 -11.85 10.7 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.657 0.614 . . . . 73.45 112.657 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -77.04 0.42 21.39 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.976 0.417 . . . . 74.22 110.975 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -115.73 133.84 22.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 116.176 -0.466 . . . . 75.25 110.337 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.39 -13.15 31.08 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.235 1.957 . . . . 74.35 112.741 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.06 -2.79 58.89 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.86 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.78 70.2 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.19 0.441 . . . . 74.24 112.19 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -47.57 -34.08 7.28 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.587 0.588 . . . . 62.31 112.587 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -67.09 -44.74 79.25 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.012 0.434 . . . . 72.41 111.212 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 66.4 mttm -82.14 -26.49 33.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.167 -0.469 . . . . 65.03 112.12 -176.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.6 mt -83.04 -47.73 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 120.889 0.376 . . . . 72.21 111.426 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.22 -113.38 4.75 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.336 -0.459 . . . . 61.41 113.194 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.14 -26.88 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.473 2.115 . . . . 74.11 112.745 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.3 164.44 12.35 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.006 -0.616 . . . . 72.31 113.175 -178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.48 118.1 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.953 0.406 . . . . 74.33 111.145 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -68.8 -54.12 17.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.104 0.478 . . . . 73.43 110.544 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -174.54 -173.94 0.79 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.713 -0.676 . . . . 63.1 110.843 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.451 ' CE2' HG12 ' A' ' 80' ' ' ILE . 70.4 m-85 -121.84 139.95 52.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.82 0.343 . . . . 62.15 111.178 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -112.26 136.87 51.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.853 0.359 . . . . 73.12 110.876 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.0 t -87.45 109.21 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.032 -0.358 . . . . 75.01 110.032 175.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -129.8 150.25 51.19 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.652 0.263 . . . . 63.14 111.025 -176.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 120.753 0.311 . . . . 63.2 110.834 178.162 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.099 0.476 . . . . 52.44 111.596 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.4 m -147.33 149.83 33.58 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.313 -0.403 . . . . 50.22 110.971 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -86.03 123.45 31.36 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.905 0.384 . . . . 73.21 111.83 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.452 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 53.4 m95 -104.55 128.63 52.57 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.207 0.527 . . . . 64.45 111.507 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.451 HG12 ' CE2' ' A' ' 66' ' ' PHE . 30.4 mt -85.44 103.5 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.74 -0.663 . . . . 72.44 111.376 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.82 111.01 16.88 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.962 -0.461 . . . . 70.22 110.229 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -83.48 149.52 26.58 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.863 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -67.79 -13.68 62.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.653 0.612 . . . . 73.01 112.653 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -78.62 -32.18 47.35 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 122.217 -0.302 . . . . 63.14 111.568 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.22 -8.4 5.08 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.099 -0.572 . . . . 70.13 113.699 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.9 t -90.54 147.86 23.08 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.556 -0.379 . . . . 64.4 111.851 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -107.18 109.35 21.15 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.485 0.659 . . . . 71.51 111.495 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 58' ' ' LYS . 10.0 tp10 -95.04 170.41 9.43 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.341 -0.845 . . . . 74.43 110.581 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 13.0 ptm180 -146.41 165.44 29.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.886 -0.509 . . . . 73.32 111.366 173.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -151.23 141.61 22.44 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.055 0.455 . . . . 74.43 111.391 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -84.76 84.02 7.83 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.863 0.363 . . . . 63.53 110.924 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -51.84 -44.13 63.46 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.849 0.357 . . . . 75.43 111.914 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 113.122 0.786 . . . . 75.14 113.122 -177.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 CA-C-O 120.821 0.259 . . . . 73.53 111.56 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.548 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 2.4 mp -71.0 107.61 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.877 0.37 . . . . 71.34 111.121 -176.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -97.99 124.15 42.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.34 -0.391 . . . . 75.22 111.07 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.4 mt -137.46 109.6 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.403 -0.362 . . . . 75.13 110.584 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.67 30.3 19.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.465 0.543 . . . . 74.25 112.465 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.0 -4.03 65.11 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 121.141 -0.552 . . . . 41.43 113.21 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -95.56 131.47 41.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 122.366 -0.491 . . . . 73.32 110.907 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.56 132.88 53.72 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.348 0.594 . . . . 73.34 111.274 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.548 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 76.2 m-85 -122.41 141.23 51.81 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.189 -0.459 . . . . 70.45 111.604 -178.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.25 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.271 0.471 . . . . 55.04 112.271 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 166.31 24.64 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.823 0.344 . . . . 73.44 111.55 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -53.83 -47.31 71.05 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.092 0.472 . . . . 72.13 111.468 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -26.45 68.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.117 -0.492 . . . . 73.13 112.223 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 43.5 t0 -65.89 -36.74 84.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.233 0.54 . . . . 71.21 110.578 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -46.85 52.57 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.107 -0.497 . . . . 55.03 111.495 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.56 -44.7 95.67 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.067 -0.515 . . . . 72.23 111.443 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -61.46 -38.56 87.69 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.27 -0.423 . . . . 64.44 111.553 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.05 -49.57 73.36 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.032 0.444 . . . . 73.21 110.955 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.52 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 77.4 mtm -62.08 -39.8 93.66 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.12 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.6 -44.42 93.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.464 -0.335 . . . . 71.52 111.038 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 22' ' ' ALA . 89.3 t -56.94 -57.67 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 111.726 0.269 . . . . 72.23 111.726 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.52 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 27.4 ptt? -65.59 -34.2 77.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.886 -0.326 . . . . 64.52 111.296 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.42 -46.42 80.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.322 0.582 . . . . 63.32 110.611 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.572 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -76.67 -10.48 59.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.689 -0.687 . . . . 71.0 111.441 178.795 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -77.65 -41.76 37.18 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 120.891 0.377 . . . . 72.33 110.121 176.284 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.451 ' HB2' HG21 ' A' ' 68' ' ' VAL . 97.3 m-85 -80.88 170.07 16.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.105 0.479 . . . . 74.2 111.365 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 6.7 mpt_? -107.76 153.16 41.69 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 116.573 -0.285 . . . . 73.44 110.788 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.87 78.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.651 2.234 . . . . 65.22 112.405 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.35 -17.94 0.16 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 114.785 -1.098 . . . . 45.03 113.45 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -83.92 157.01 22.09 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.962 0.727 . . . . 74.21 112.962 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.43 HD12 ' ND2' ' A' ' 65' ' ' ASN . 51.0 mm -96.13 134.53 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.214 -0.903 . . . . 75.51 110.266 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.47 139.55 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 112.097 0.406 . . . . 73.43 112.097 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.6 t -56.23 165.03 1.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.537 0.569 . . . . 72.33 112.537 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 84.9 m -58.36 -56.27 24.24 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.488 0.551 . . . . 61.31 112.488 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.4 -48.38 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 120.957 0.408 . . . . 73.34 111.496 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.19 -35.46 80.4 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.174 0.511 . . . . 73.14 111.149 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.436 ' O ' HG21 ' A' ' 46' ' ' VAL . . . -65.75 -41.96 95.48 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 116.113 -0.494 . . . . 38.67 112.345 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.06 74.6 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.12 0.486 . . . . 74.42 110.896 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.17 -47.7 82.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.95 -0.568 . . . . 74.44 110.526 173.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.35 -38.48 91.32 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.085 -0.507 . . . . 74.12 112.046 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.436 HG21 ' O ' ' A' ' 42' ' ' GLY . 98.3 t -55.79 -49.49 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.918 0.39 . . . . 64.11 110.994 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.96 -46.31 82.07 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.801 0.334 . . . . 75.22 111.492 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.478 -0.328 . . . . 75.3 111.477 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -78.48 -57.47 3.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.153 -0.476 . . . . 63.12 111.763 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -49.0 -31.06 6.84 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.999 0.74 . . . . 74.32 112.999 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -86.1 20.54 2.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.44 0.533 . . . . 72.23 112.44 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -111.9 140.94 23.91 Favored Pre-proline 0 N--CA 1.471 0.596 0 N-CA-C 110.157 -0.312 . . . . 74.43 110.157 170.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.82 -37.17 57.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 121.972 1.782 . . . . 72.13 111.502 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.83 54.15 3.01 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.746 -0.661 . . . . 74.35 111.226 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.51 -40.14 1.8 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.36 0.504 . . . . 74.53 112.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -44.48 -48.58 10.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.544 0.942 . . . . 75.14 113.544 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.1 p -74.31 -26.58 60.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.013 0.435 . . . . 74.43 111.556 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -78.16 -30.17 49.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.211 -0.45 . . . . 71.13 111.162 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -79.36 -48.89 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 71.33 111.177 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.71 -128.29 32.05 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 121.021 -0.609 . . . . 51.34 112.786 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.95 -11.33 23.52 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.516 2.144 . . . . 72.33 113.038 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.33 164.4 10.93 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.776 -0.726 . . . . 64.51 113.913 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 66' ' ' PHE . 69.2 t -96.13 124.24 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.835 0.35 . . . . 74.14 111.078 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.529 ' HD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -85.64 -50.79 6.93 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.008 0.432 . . . . 74.13 110.359 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.529 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 3.3 p-10 -162.3 156.48 21.54 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.012 0.434 . . . . 74.5 111.977 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.434 ' CE2' HG11 ' A' ' 63' ' ' VAL . 86.3 m-85 -103.62 126.63 50.88 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.454 -0.339 . . . . 70.11 110.752 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -109.1 137.69 46.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.882 0.372 . . . . 75.11 111.332 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 31' ' ' TYR . 97.9 t -87.67 121.07 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.787 0.327 . . . . 73.15 110.585 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 35.0 ttm180 -135.98 158.15 45.11 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.735 -0.211 . . . . 73.42 110.851 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 120.715 0.293 . . . . 61.0 111.304 179.831 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 121.097 0.475 . . . . 51.2 112.075 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.9 t -153.17 159.95 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.961 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.12 134.94 34.11 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 120.859 0.362 . . . . 73.14 111.204 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.452 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 35.6 m95 -114.94 125.67 53.89 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.431 0.634 . . . . 75.01 111.908 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.36 99.11 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.43 -0.804 . . . . 71.31 111.515 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 87' ' ' GLU . 4.1 mm? -83.55 101.81 11.71 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.689 -0.486 . . . . 74.23 109.689 172.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 86' ' ' SER . 1.2 mtp85 -78.76 158.11 28.32 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.999 -0.546 . . . . 74.42 112.181 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -67.29 -19.31 65.47 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.897 0.856 . . . . 74.32 109.86 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.71 -20.41 63.46 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.883 -1.053 . . . . 73.44 111.338 170.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.19 -40.88 2.27 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.203 -0.522 . . . . 72.35 112.444 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 26.9 m -66.1 144.51 56.65 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.772 0.32 . . . . 71.44 111.284 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HB3' HD11 ' A' ' 81' ' ' LEU . 7.7 pt-20 -99.25 159.44 14.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.96 0.41 . . . . 75.05 111.038 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.43 169.72 20.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 62.22 110.478 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -143.26 160.22 40.88 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.088 -0.383 . . . . 73.31 111.327 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -143.35 124.0 14.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.207 0.527 . . . . 65.15 111.828 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 m -79.2 76.21 5.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.139 0.495 . . . . 43.44 110.76 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -53.15 -30.82 39.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.579 0.955 . . . . 65.23 113.579 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 112.634 0.605 . . . . 73.24 112.634 -175.35 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo . . . . . 0 CA--C 1.539 0.758 0 CA-C-O 120.924 0.302 . . . . 74.01 112.723 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.486 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.1 mp -75.1 96.1 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.187 0.517 . . . . 43.42 110.071 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.4 tt0 -96.0 100.45 12.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.115 -0.493 . . . . 73.03 111.339 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -111.45 116.13 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 111.97 0.359 . . . . 62.34 111.97 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.86 31.73 20.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.339 0.496 . . . . 71.44 112.339 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.74 -16.73 58.34 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.046 -0.597 . . . . 74.35 113.254 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -87.44 103.82 15.87 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 73.41 110.748 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 5.6 pt-20 -90.88 98.9 12.05 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.137 0.494 . . . . 71.45 112.108 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -91.15 114.38 26.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.385 -0.37 . . . . 74.54 111.017 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.78 5.37 1.52 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.73 0.641 . . . . 72.32 112.73 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -165.04 143.49 6.43 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.783 0.325 . . . . 71.22 111.197 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.572 ' HE3' HD23 ' A' ' 21' ' ' LEU . 53.9 tptt -56.11 -44.31 78.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.762 0.315 . . . . 74.34 111.178 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.39 73.31 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.29 -0.414 . . . . 75.22 111.948 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -66.3 -43.13 87.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.059 0.457 . . . . 72.33 110.332 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' MET . . . -59.5 -45.97 90.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.048 -0.524 . . . . 63.13 111.331 175.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD23 ' HE3' ' A' ' 17' ' ' LYS . 89.1 mt -59.21 -44.2 92.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.181 -0.463 . . . . 64.22 111.53 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.531 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -57.31 -53.77 54.31 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.429 -0.351 . . . . 63.32 111.125 176.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -53.74 -50.08 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.845 0.355 . . . . 75.3 111.658 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.513 ' SD ' ' HB2' ' A' ' 92' ' ' TYR . 66.1 mtt -57.04 -46.74 82.19 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.948 0.404 . . . . 71.43 111.141 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -40.26 96.73 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.157 -0.474 . . . . 61.12 110.894 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 22' ' ' ALA . 72.0 t -59.04 -54.14 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 111.748 0.277 . . . . 72.42 111.748 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -70.37 -27.31 64.22 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.896 0.379 . . . . 74.11 111.253 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 HD13 HG12 ' A' ' 68' ' ' VAL . 54.1 tp -61.63 -41.7 97.85 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.234 0.54 . . . . 72.43 110.617 174.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -85.35 -7.44 58.97 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.959 -0.564 . . . . 75.03 111.896 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -74.6 -49.68 20.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.014 0.435 . . . . 74.24 110.209 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -72.67 140.68 48.07 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 72.42 110.89 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -86.77 159.74 51.48 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.021 -0.536 . . . . 74.55 110.649 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.94 -1.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.355 2.703 . . . . 72.32 115.546 -176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -131.72 17.62 4.94 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.158 -0.544 . . . . 61.23 113.407 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -99.66 129.59 45.81 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.339 0.59 . . . . 63.31 112.027 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.6 mm -81.17 133.85 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.74 -0.664 . . . . 73.12 110.585 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.3 136.4 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.326 -0.397 . . . . 65.34 111.782 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -64.56 171.54 3.2 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.234 -0.439 . . . . 72.54 112.155 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.3 m -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.805 0.336 . . . . 71.34 111.728 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.83 -60.8 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.903 0.383 . . . . 54.41 111.192 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 44' ' ' PHE . 4.8 m-20 -57.95 -36.13 72.11 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.293 0.568 . . . . 55.31 110.971 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -61.78 -48.49 83.68 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-N 115.959 -0.564 . . . . 71.15 112.591 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.54 -40.05 71.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.027 0.442 . . . . 70.33 111.192 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 41' ' ' ASP . 68.2 t80 -54.17 -48.69 70.64 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.988 -0.551 . . . . 71.45 110.748 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.67 -34.98 79.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 111.792 178.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.626 HG12 ' HZ2' ' A' ' 50' ' ' LYS . 60.2 t -62.94 -43.23 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.944 0.402 . . . . 72.21 110.975 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -67.37 -41.89 84.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.063 0.459 . . . . 74.13 110.92 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.09 68.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.194 -0.457 . . . . 73.54 111.283 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 tp -79.22 -37.08 38.98 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.279 -0.419 . . . . 64.23 111.359 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HZ2' HG12 ' A' ' 46' ' ' VAL . 61.9 mttp -60.89 -21.07 62.95 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -84.35 26.99 0.72 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.01 0.433 . . . . 71.12 111.812 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -123.96 145.5 48.12 Favored Pre-proline 0 N--CA 1.47 0.533 0 C-N-CA 122.396 0.278 . . . . 75.25 111.022 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.37 -16.85 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.93 1.754 . . . . 75.51 111.221 171.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 5.2 m-20 -98.36 12.66 34.17 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.342 -0.844 . . . . 63.43 111.385 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -49.97 -78.8 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.922 0.712 . . . . 51.25 112.922 -173.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -63.19 -23.42 67.42 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.872 0.323 . . . . 55.55 111.872 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.2 t -64.37 -50.84 66.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.112 0.482 . . . . 63.42 111.294 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HD2' ' HG3' ' A' ' 88' ' ' GLU . 33.9 mmtp -71.37 -32.71 68.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 74.13 110.996 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.486 HG22 HG21 ' A' ' 63' ' ' VAL . 90.1 mt -63.92 -41.35 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.025 0.441 . . . . 64.25 110.958 173.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.38 -119.95 18.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.277 -0.487 . . . . 73.02 112.471 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.36 -46.88 3.64 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.181 1.92 . . . . 73.53 112.02 173.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.48 154.22 10.74 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 115.951 -0.568 . . . . 73.22 112.697 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 59' ' ' ILE . 58.6 t -84.65 126.26 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 122.591 -0.358 . . . . 64.52 111.238 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.442 ' HD3' HG21 ' A' ' 83' ' ' THR . 27.6 tpt180 -93.8 -49.61 5.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.03 0.443 . . . . 73.5 110.422 178.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -164.65 -174.56 3.46 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.964 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.85 150.12 50.46 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.502 175.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -123.56 142.05 51.4 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.868 0.366 . . . . 75.11 111.195 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.421 HG12 HD13 ' A' ' 28' ' ' LEU . 75.2 t -101.83 101.25 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.103 0.477 . . . . 74.5 110.719 175.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 15.3 ttm180 -126.12 146.55 49.89 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.94 0.4 . . . . 75.24 111.507 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 57.7 p . . . . . 0 N--CA 1.469 0.5 0 CA-C-N 116.331 -0.395 . . . . 61.33 110.597 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.8 mt-30 . . . . . 0 N--CA 1.469 0.509 0 CA-C-O 120.969 0.414 . . . . 63.42 111.522 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.521 ' SG ' ' NH2' ' A' ' 89' ' ' ARG . 91.3 m -148.25 152.51 37.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.424 -0.353 . . . . 75.55 111.063 175.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -85.55 113.8 22.08 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.896 0.379 . . . . 72.42 110.573 175.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.483 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 77.6 m95 -91.42 126.74 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 73.34 111.885 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 39.9 mt -82.75 103.84 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.966 -0.561 . . . . 73.45 111.057 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.14 100.64 12.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.044 0.449 . . . . 74.42 111.273 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.07 151.91 41.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.859 174.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.442 HG21 ' HD3' ' A' ' 64' ' ' ARG . 71.6 p -57.2 -33.18 67.23 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.633 0.73 . . . . 74.02 109.88 171.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.04 -30.25 61.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.764 -1.107 . . . . 71.31 112.334 173.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.91 -36.44 4.01 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.265 -0.493 . . . . 64.04 113.118 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -62.06 143.67 56.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.938 0.348 . . . . 75.02 111.938 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -119.05 158.42 25.86 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.149 0.5 . . . . 62.44 111.935 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.53 ' HG3' ' HD2' ' A' ' 58' ' ' LYS . 0.7 OUTLIER -146.23 139.24 25.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.285 -0.416 . . . . 74.3 110.102 178.399 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.521 ' NH2' ' SG ' ' A' ' 77' ' ' CYS . 11.5 ptm180 -106.0 103.82 13.4 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.997 -0.44 . . . . 74.53 112.063 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -91.04 130.6 36.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 75.25 111.605 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -82.01 102.29 10.87 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.15 0.5 . . . . 71.41 111.503 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.513 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 12.5 p90 -55.46 -29.52 58.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.795 -0.639 . . . . 71.21 112.648 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 pttm . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 112.271 0.471 . . . . 72.53 112.271 -178.125 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo . . . . . 0 CA--C 1.542 0.907 0 N-CA-C 113.962 0.716 . . . . 73.14 113.962 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.464 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.0 mp -76.11 108.3 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.523 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.0 OUTLIER -90.68 121.96 33.04 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.931 0.396 . . . . 55.15 111.284 -178.063 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -133.07 116.59 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.471 -0.331 . . . . 64.33 111.152 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.8 27.86 17.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.715 0.635 . . . . 74.22 112.715 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.48 0.5 61.01 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.41 -0.424 . . . . 45.12 113.47 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -114.46 111.5 21.51 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.669 -0.313 . . . . 71.23 110.904 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -91.58 136.08 33.39 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.215 0.531 . . . . 70.54 111.184 179.45 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.659 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 72.5 m-85 -116.72 118.17 31.81 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.162 -0.472 . . . . 72.51 111.042 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.92 -27.07 40.45 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.224 0.824 . . . . 75.31 113.224 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -139.17 154.32 48.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.862 0.363 . . . . 71.02 111.407 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -49.78 -48.14 50.71 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.029 -0.532 . . . . 74.31 112.114 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.96 67.59 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.92 0.711 . . . . 73.51 112.92 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.659 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 25.1 t0 -64.19 -37.34 87.11 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.139 0.495 . . . . 63.31 110.969 -177.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.63 98.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.208 0.528 . . . . 42.14 111.019 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.31 -39.22 93.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.798 -0.637 . . . . 73.31 110.715 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.74 98.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.058 -0.519 . . . . 62.03 111.268 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.0 -52.06 65.54 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.297 -0.41 . . . . 75.24 111.089 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.793 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 75.0 mtm -56.29 -24.34 42.45 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.588 0.588 . . . . 72.22 112.588 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -70.9 -48.58 52.88 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.999 -0.438 . . . . 75.03 110.987 170.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.48 -55.59 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 120.951 0.405 . . . . 72.02 111.331 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.793 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 11.7 ptm -58.79 -36.26 74.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.136 -0.484 . . . . 74.34 111.244 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.23 -39.91 82.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.852 0.358 . . . . 65.32 111.665 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.558 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -78.68 -16.4 57.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.151 0.5 . . . . 52.11 110.926 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.62 -38.45 86.98 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.018 -0.537 . . . . 63.25 111.419 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -93.71 161.67 14.24 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.296 0.569 . . . . 72.43 111.8 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.56 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 6.2 mpt_? -100.15 163.57 18.04 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 109.323 -0.621 . . . . 71.32 109.323 174.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.56 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 39.7 Cg_endo -64.96 20.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.548 1.223 0 C-N-CA 122.611 2.208 . . . . 70.32 114.894 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -141.96 10.43 2.57 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 121.273 -0.489 . . . . 36.42 113.373 175.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -96.57 161.95 13.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.563 0.697 . . . . 70.12 112.479 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -104.35 132.3 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.652 -0.704 . . . . 75.54 110.32 175.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 45' ' ' LEU . 61.6 t -60.14 121.25 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.857 0.361 . . . . 74.43 111.103 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.0 m -62.16 173.27 1.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.213 0.53 . . . . 65.42 112.367 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.1 m -55.95 -55.7 29.55 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.193 0.812 . . . . 62.25 113.193 -173.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.91 -60.14 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.97 0.414 . . . . 71.42 111.749 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.168 -0.469 . . . . 53.12 111.413 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -63.99 -46.34 91.65 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 121.339 -0.458 . . . . 71.11 112.743 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.71 64.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.108 0.48 . . . . 63.55 111.232 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.44 -51.11 68.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.66 -0.7 . . . . 72.23 110.808 175.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 37' ' ' VAL . 96.4 mt -59.52 -34.03 72.11 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.103 -0.499 . . . . 75.13 111.99 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 42' ' ' GLY . 91.4 t -57.89 -51.94 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.845 0.355 . . . . 65.01 110.932 176.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -66.28 -38.34 87.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.877 0.37 . . . . 74.22 110.943 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -57.57 -39.53 76.95 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.254 0.549 . . . . 70.13 110.887 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 ' HG ' ' HB3' ' A' ' 55' ' ' ALA . 54.4 tp -69.04 -55.79 9.74 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.088 -0.505 . . . . 70.01 110.925 174.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -50.75 -36.6 37.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 2.0 ptm180 -71.38 1.75 5.85 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.036 0.446 . . . . 70.34 112.146 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -94.04 133.83 26.94 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 122.462 0.305 . . . . 74.51 110.482 172.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.62 -12.1 26.73 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.904 2.403 . . . . 63.31 113.914 -175.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -122.08 26.87 8.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.168 0.508 . . . . 65.12 111.988 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -73.51 -51.87 15.53 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.474 -0.33 . . . . 61.03 111.219 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 t -45.07 -45.78 11.19 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.024 0.749 . . . . 74.53 113.024 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.4 t -57.62 -36.13 71.38 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.933 0.397 . . . . 65.3 111.931 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -100.91 5.62 43.36 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.173 0.434 . . . . 75.33 112.173 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 55' ' ' ALA . 69.8 mt -88.55 -46.06 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.79 0.328 . . . . 70.15 110.287 171.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.96 -117.82 10.58 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 114.889 0.716 . . . . 54.2 114.889 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.4 -4.11 14.89 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.086 2.524 . . . . 62.42 113.891 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.07 168.89 12.85 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 120.734 -0.746 . . . . 62.03 113.513 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.555 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 62.8 t -87.81 117.8 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.102 0.408 . . . . 73.3 112.102 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.648 HH11 ' ND2' ' A' ' 65' ' ' ASN . 2.1 tmt_? -79.53 -61.13 2.1 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 109.15 -0.685 . . . . 63.31 109.15 173.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.648 ' ND2' HH11 ' A' ' 64' ' ' ARG . 42.5 p30 -169.98 -173.44 1.56 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.02 0.438 . . . . 70.1 111.221 170.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -119.61 130.83 55.3 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.397 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -106.51 144.75 32.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.063 0.459 . . . . 51.43 111.846 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.52 96.63 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.07 -0.514 . . . . 72.15 109.862 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -104.98 158.1 16.77 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.954 0.407 . . . . 55.1 111.993 -173.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 112.966 0.728 . . . . 55.22 112.966 -177.126 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 120.51 0.195 . . . . 75.41 110.764 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.7 t -138.62 146.4 41.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.739 0.304 . . . . 36.42 111.491 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -84.47 129.53 34.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.842 0.353 . . . . 74.1 111.058 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -114.35 136.03 53.44 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.445 0.64 . . . . 74.33 111.973 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.7 mt -86.53 104.03 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.216 -0.902 . . . . 73.44 111.314 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.84 128.72 35.05 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.033 0.444 . . . . 64.03 111.032 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.555 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 5.9 mmp_? -102.93 144.31 31.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.252 -0.431 . . . . 74.14 110.756 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 p -55.96 -33.89 65.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.175 0.512 . . . . 74.01 111.206 177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.25 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.761 -0.654 . . . . 70.22 111.935 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.23 -31.59 1.16 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.097 -0.573 . . . . 74.42 113.127 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.1 m -75.45 112.28 11.61 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.565 -0.374 . . . . 61.21 111.403 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.9 153.85 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.244 0.545 . . . . 63.25 111.745 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -138.11 159.25 42.54 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.857 -0.611 . . . . 65.15 110.516 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -115.35 156.47 25.45 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.087 -0.383 . . . . 73.21 111.388 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.09 122.63 15.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 75.45 111.446 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.8 m -73.66 95.82 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.303 -0.408 . . . . 71.51 110.736 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -55.75 -27.73 52.26 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.66 0.615 . . . . 73.31 112.66 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 111.857 0.317 . . . . 74.34 111.857 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.727 0.299 . . . . 75.04 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.28 72.81 10.17 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.353 0.597 . . . . 63.25 111.057 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -140.63 127.56 20.64 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.991 -0.549 . . . . 54.12 111.11 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.84 89.22 3.45 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.098 0.475 . . . . 63.12 110.99 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -88.09 162.37 40.87 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.127 -0.488 . . . . 64.23 111.575 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.56 156.27 57.89 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.258 1.972 . . . . 75.11 112.683 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' N ' HD11 ' A' ' 7' ' ' ILE . 2.2 mp -74.03 103.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.288 -0.415 . . . . 63.35 111.037 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -91.23 123.37 34.62 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.018 0.437 . . . . 72.02 111.625 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.75 113.03 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.004 -0.544 . . . . 70.22 110.354 173.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.01 28.63 18.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.965 0.412 . . . . 41.14 111.823 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.36 40.61 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.403 -0.427 . . . . 74.14 113.17 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -75.09 117.35 16.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.539 -0.389 . . . . 74.3 110.614 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.04 104.63 16.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.308 0.575 . . . . 72.32 111.614 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.01 136.23 33.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.329 -0.396 . . . . 74.45 111.101 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.25 5.71 13.89 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.695 0.628 . . . . 71.05 112.695 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 19.6 tpp180 -163.61 150.18 11.93 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 122.245 -0.284 . . . . 62.54 111.375 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 97' ' ' LEU . 1.2 tmtp? -59.09 -45.55 90.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.9 0.381 . . . . 74.45 110.839 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.77 65.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.877 0.37 . . . . 65.42 111.828 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 37.9 t0 -69.06 -42.32 76.4 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.184 0.516 . . . . 73.14 110.538 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.84 96.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.15 -0.477 . . . . 62.14 111.363 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.91 -41.61 99.5 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.219 -0.446 . . . . 63.51 111.354 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -53.89 -51.6 63.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.233 -0.44 . . . . 71.14 111.607 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.77 -48.71 63.64 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.035 0.445 . . . . 74.22 111.536 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.527 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 77.7 mtm -64.95 -40.48 95.07 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.388 -0.369 . . . . 72.11 111.814 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -64.81 -37.65 88.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.706 0.288 . . . . 72.34 111.568 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 22' ' ' ALA . 96.4 t -57.61 -58.9 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.655 0.264 . . . . 53.13 111.681 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.646 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.1 ptt? -62.99 -40.64 98.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.957 -0.297 . . . . 75.31 111.083 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.41 -50.22 62.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.055 0.455 . . . . 70.0 111.45 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.49 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.6 -18.8 65.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.161 -0.472 . . . . 75.41 111.832 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -85.48 -7.87 58.66 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.056 0.391 . . . . 75.0 112.056 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -108.55 162.88 13.72 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.972 0.415 . . . . 75.23 111.236 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.546 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 80.6 mtm180 -105.74 163.47 17.01 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.476 -0.329 . . . . 62.24 110.33 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 49.7 Cg_endo -66.22 19.24 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 122.724 2.283 . . . . 73.21 115.134 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.97 12.09 1.08 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.043 -0.599 . . . . 55.1 113.324 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.512 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -104.87 147.63 27.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.252 0.549 . . . . 72.14 112.017 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -85.93 135.76 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.885 -0.598 . . . . 75.22 111.232 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 141.62 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.294 -0.412 . . . . 73.53 111.463 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -59.89 153.48 20.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.824 0.345 . . . . 61.15 111.872 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.7 m -58.99 -37.47 76.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.794 0.331 . . . . 73.03 111.656 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.44 -52.53 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.045 0.45 . . . . 60.41 111.404 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.646 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 31.0 m-20 -65.88 -40.41 91.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.127 0.489 . . . . 54.0 110.809 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.505 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -57.55 -42.13 93.88 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 116.028 -0.533 . . . . 71.14 112.7 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -34.92 72.36 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.074 0.464 . . . . 74.35 111.413 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.29 -46.93 69.01 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.043 -0.526 . . . . 73.01 110.509 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.21 -40.56 81.95 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.622 -0.717 . . . . 74.14 111.998 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' GLY . 91.0 t -54.77 -53.42 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 120.811 0.339 . . . . 72.41 111.327 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -67.64 -35.85 79.66 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 120.879 0.371 . . . . 72.34 111.183 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.98 71.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.265 0.555 . . . . 74.34 110.997 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 tp -75.96 -53.13 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.092 -0.504 . . . . 72.33 110.824 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -53.71 -25.13 17.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.193 0.812 . . . . 70.51 113.193 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -78.45 13.92 1.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.184 0.439 . . . . 71.31 112.184 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -114.19 140.7 25.31 Favored Pre-proline 0 N--CA 1.47 0.537 0 C-N-CA 122.507 0.323 . . . . 71.11 110.795 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -23.28 68.14 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.509 2.139 . . . . 72.45 113.006 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 14.9 m-20 -81.38 3.15 25.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.206 0.447 . . . . 74.22 112.206 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.69 -57.45 2.3 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.999 0.741 . . . . 62.23 112.999 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.5 t -55.22 -40.69 71.11 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.239 0.459 . . . . 75.52 112.239 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 m -69.55 -40.45 76.81 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.808 0.337 . . . . 55.13 111.486 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 29.0 mmmt -71.3 -46.92 59.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.094 0.473 . . . . 74.14 111.377 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.91 -50.51 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.76 -0.654 . . . . 71.43 112.705 -174.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.96 -116.83 4.93 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.843 -0.694 . . . . 74.24 112.621 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.43 -21.53 6.27 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.507 2.138 . . . . 73.14 113.02 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.64 153.31 6.34 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.092 -0.575 . . . . 75.33 113.169 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.28 124.42 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 120.932 0.396 . . . . 74.22 111.089 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -91.61 -48.15 7.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.717 0.294 . . . . 62.21 110.697 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -167.66 175.66 6.88 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.904 0.383 . . . . 72.11 111.285 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.19 135.12 55.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.154 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -120.54 137.32 54.45 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.816 0.341 . . . . 50.24 111.058 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.38 114.81 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.662 0.268 . . . . 75.35 110.454 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -135.83 159.24 42.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.69 0.281 . . . . 73.41 110.48 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.8 p -62.21 136.16 57.81 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.096 0.474 . . . . 74.41 112.084 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.655 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -79.81 -56.05 4.55 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.165 0.507 . . . . 72.53 110.892 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.91 -72.43 0.46 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.145 -0.48 . . . . 72.12 111.767 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -138.47 105.36 5.4 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.404 -0.221 . . . . 75.14 110.404 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.47 -37.7 1.83 Allowed Glycine 0 CA--C 1.529 0.964 0 C-N-CA 121.167 -0.539 . . . . 51.45 113.249 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.5 p -60.7 142.61 55.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.781 0.432 . . . . 65.44 112.034 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -108.69 147.19 32.3 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.271 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.655 ' SG ' ' HB1' ' A' ' 71' ' ' ALA . 88.3 m -147.91 158.21 43.92 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.748 0.309 . . . . 74.02 111.236 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.81 125.15 35.21 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.178 0.513 . . . . 75.14 111.579 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -103.02 132.4 49.31 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.147 0.498 . . . . 64.41 111.557 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.5 mt -88.81 109.35 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.9 -0.591 . . . . 70.43 111.388 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.51 114.12 24.8 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.851 0.358 . . . . 72.43 110.26 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -79.32 154.6 28.96 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.225 0.536 . . . . 73.14 112.014 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.7 p -66.03 -19.38 65.83 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.125 -0.489 . . . . 63.13 112.171 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.18 -5.13 53.51 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 120.772 0.32 . . . . 72.21 111.815 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.16 4.3 56.51 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.373 -0.441 . . . . 64.25 113.576 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 m -95.75 -178.74 4.48 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.416 -0.461 . . . . 63.14 111.477 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.66 161.67 37.94 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.213 0.53 . . . . 73.03 111.937 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.79 169.09 21.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.94 -0.573 . . . . 75.35 110.663 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -133.3 142.67 48.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.628 0.252 . . . . 70.43 110.954 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -136.65 137.64 40.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.199 0.523 . . . . 73.44 111.38 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.1 m -83.63 95.03 8.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.191 -0.458 . . . . 52.23 111.26 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -51.31 -28.24 11.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.72 0.637 . . . . 71.41 112.72 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -51.46 -28.86 14.39 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.66 0.615 . . . . 75.3 112.66 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -100.82 40.22 1.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.823 0.344 . . . . 74.51 111.283 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.585 ' SG ' HG22 ' A' ' 96' ' ' VAL . 29.1 p -65.77 -35.41 80.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.724 0.297 . . . . 74.41 111.465 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.585 HG22 ' SG ' ' A' ' 95' ' ' CYS . 43.2 t -106.93 -85.3 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 116.282 -0.417 . . . . 74.14 111.957 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 66.1 mt -151.66 161.04 43.33 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 112.012 0.375 . . . . 75.32 112.012 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.91 -48.98 4.96 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.271 -0.422 . . . . 73.04 110.484 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.0 t60 54.43 48.97 19.38 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.043 -0.526 . . . . 75.32 112.185 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 65.58 -13.33 0.14 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.852 1.056 . . . . 72.43 113.852 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -75.17 -0.95 21.02 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.825 -0.547 . . . . 54.1 111.804 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -59.43 99.08 0.05 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.411 -0.588 . . . . 65.24 109.411 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -79.97 129.34 34.41 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.8 0.667 . . . . 73.03 112.8 -170.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 . . . . . 0 C--O 1.252 1.233 0 CA-C-N 115.764 -0.653 . . . . 74.41 110.652 174.672 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 120.634 0.254 . . . . 72.24 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.89 -49.76 66.9 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.055 0.391 . . . . 71.14 112.055 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -89.26 -179.91 5.97 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.932 0.396 . . . . 74.33 111.857 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.83 141.47 57.92 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.584 0.587 . . . . 75.43 112.584 -177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.7 148.01 56.83 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 116.229 -0.441 . . . . 73.42 111.464 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.66 157.68 31.94 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.61 2.207 . . . . 52.23 113.426 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.477 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.9 mp -94.87 103.1 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 116.396 -0.366 . . . . 70.44 110.64 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 119.09 34.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.895 0.379 . . . . 63.13 111.352 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -123.24 109.83 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 120.729 0.299 . . . . 73.1 111.351 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.63 48.5 20.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.391 0.515 . . . . 73.22 112.391 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -2.97 81.6 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.204 -0.522 . . . . 73.13 113.77 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.78 106.96 18.41 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.138 -0.625 . . . . 75.24 110.866 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.08 109.05 17.95 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.131 -0.486 . . . . 63.24 111.992 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -103.06 103.03 13.08 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.979 0.419 . . . . 64.34 110.39 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 5.65 8.28 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.34 0.496 . . . . 72.41 112.34 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -153.87 141.78 20.18 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.741 0.305 . . . . 74.54 111.12 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -57.36 -36.27 70.98 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.591 0.589 . . . . 74.34 112.591 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.51 -32.81 71.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.862 0.319 . . . . 63.13 111.862 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.92 -41.64 95.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.039 0.447 . . . . 64.42 111.324 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.56 76.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.976 0.417 . . . . 53.42 111.385 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.5 mt -67.63 -34.44 76.97 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.117 -0.492 . . . . 65.55 111.42 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -59.61 -47.07 87.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.367 -0.379 . . . . 72.43 111.285 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -62.1 -54.99 33.52 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.373 -0.376 . . . . 72.12 110.8 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.463 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 66.1 mtt -49.3 -37.97 25.95 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.858 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.21 -51.27 66.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.697 0.284 . . . . 74.12 111.21 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 22' ' ' ALA . 58.9 t -59.69 -46.96 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 112.074 0.398 . . . . 70.3 112.074 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.463 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.5 ptm -65.95 -40.71 91.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.798 0.332 . . . . 74.14 111.508 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 76' ' ' GLN . 55.4 tp -64.67 -43.77 92.5 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.081 0.467 . . . . 64.35 111.374 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.521 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -72.27 -0.23 11.64 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.32 0.489 . . . . 54.11 112.32 -178.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.6 -22.72 21.09 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.151 0.5 . . . . 73.25 111.07 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' HB2' HG21 ' A' ' 68' ' ' VAL . 80.7 m-85 -110.22 140.8 43.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.285 -0.416 . . . . 72.23 110.517 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.53 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 56.2 mtm180 -94.6 164.57 19.45 Favored Pre-proline 0 N--CA 1.468 0.468 0 CA-C-N 116.532 -0.304 . . . . 72.15 111.457 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 19.2 Cg_endo -59.01 77.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.641 2.227 . . . . 64.34 112.649 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 -5.15 0.62 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 114.813 -1.085 . . . . 71.54 113.424 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.92 145.24 25.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.223 0.535 . . . . 74.41 111.952 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.06 129.58 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.922 -0.581 . . . . 71.1 110.096 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 60.9 t -61.3 132.41 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.454 -0.339 . . . . 74.53 111.609 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -60.93 169.23 2.02 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.661 0.615 . . . . 63.44 112.661 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.3 m -57.91 -57.79 11.23 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.621 0.6 . . . . 75.5 112.621 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.81 -48.36 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 121.006 0.432 . . . . 74.02 111.83 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.97 -39.0 90.64 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.008 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -62.06 -48.99 79.49 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 116.137 -0.483 . . . . 51.13 112.599 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.38 -37.16 64.68 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.956 0.408 . . . . 72.35 111.472 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.47 -49.53 76.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.044 -0.526 . . . . 70.11 110.595 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.11 -38.12 78.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.737 -0.665 . . . . 74.42 111.927 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 42' ' ' GLY . 66.4 t -58.73 -46.06 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.726 0.298 . . . . 64.13 111.164 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 16.2 mm-40 -62.77 -52.48 63.05 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.863 0.363 . . . . 73.52 111.008 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.35 61.61 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.096 0.474 . . . . 64.35 111.609 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.9 tp -74.07 -48.2 31.47 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.899 -0.591 . . . . 65.33 111.151 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -66.78 -7.83 24.09 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.603 0.594 . . . . 71.21 112.603 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 75.1 mtp85 -80.26 -5.1 55.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.965 0.412 . . . . 75.23 111.345 174.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -95.65 138.23 21.82 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.496 -0.32 . . . . 75.15 110.957 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.08 -23.44 60.74 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.274 1.983 . . . . 71.33 111.945 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.75 25.98 0.87 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.063 0.545 . . . . 63.23 111.326 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.92 -64.33 0.85 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.957 0.725 . . . . 71.41 112.957 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -55.51 -31.89 62.43 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 112.308 0.484 . . . . 72.03 112.308 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 t -56.08 -33.67 65.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.006 0.432 . . . . 71.51 111.792 177.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HB3' HD12 ' A' ' 80' ' ' ILE . 44.7 mmtm -102.76 -33.43 9.39 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.405 -0.361 . . . . 74.51 111.942 -177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.475 HG22 HG21 ' A' ' 63' ' ' VAL . 66.2 mt -81.75 -48.01 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 112.274 0.472 . . . . 71.23 112.274 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.65 -129.4 19.19 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 120.863 -0.684 . . . . 52.34 111.888 -171.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.27 -41.66 2.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.432 2.088 . . . . 74.13 112.756 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.82 158.53 27.58 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.988 -0.625 . . . . 51.14 113.31 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 59' ' ' ILE . 68.8 t -94.92 126.83 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 122.55 -0.383 . . . . 64.42 111.242 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -59.01 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.835 0.35 . . . . 61.41 110.285 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -153.08 152.25 31.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.142 0.496 . . . . 53.51 111.979 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.408 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 91.5 m-85 -99.04 143.93 28.76 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.261 -0.427 . . . . 74.2 111.041 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.14 143.99 48.81 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.002 0.429 . . . . 74.24 110.985 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.9 t -101.61 113.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 73.13 110.829 175.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 14.5 ttm180 -131.55 150.17 52.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.32 -0.4 . . . . 71.33 111.038 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 m -78.8 120.85 24.02 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.835 0.35 . . . . 61.2 111.87 -177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.36 4.17 13.39 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.194 0.521 . . . . 62.23 111.367 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -147.4 173.09 12.96 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.115 -0.493 . . . . 75.4 110.365 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -54.96 -52.84 61.79 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.969 0.414 . . . . 74.12 112.027 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.59 19.94 4.19 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 120.842 -0.694 . . . . 64.44 113.793 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.6 p -131.28 158.06 41.65 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.363 0.601 . . . . 74.14 111.752 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.502 ' HB2' HD22 ' A' ' 28' ' ' LEU . 16.8 mt-30 -106.07 174.96 5.66 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.793 -0.639 . . . . 62.53 111.85 -171.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.94 143.16 29.34 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.458 -0.337 . . . . 74.34 111.294 176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.975 0.417 . . . . 72.34 111.535 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.43 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 60.6 m95 -102.79 135.87 43.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.151 0.501 . . . . 75.12 110.936 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 58' ' ' LYS . 53.5 mt -98.34 110.0 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 111.98 0.363 . . . . 73.12 111.98 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.43 100.51 11.91 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.639 0.733 . . . . 54.41 109.531 170.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -76.73 153.92 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.074 -0.967 . . . . 75.22 112.401 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -61.33 -21.35 63.92 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.798 0.809 . . . . 73.44 110.136 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.11 -26.83 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.737 -1.12 . . . . 72.54 111.522 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.74 -15.66 40.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.491 -0.385 . . . . 74.4 113.112 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.0 p -97.63 162.93 13.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.223 0.535 . . . . 73.42 112.241 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' HB3' HD12 ' A' ' 81' ' ' LEU . 6.3 pt-20 -117.0 143.02 46.21 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.928 -0.578 . . . . 60.33 111.532 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -157.69 141.55 15.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.797 0.332 . . . . 73.34 111.157 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.48 159.99 14.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.046 0.45 . . . . 74.45 112.172 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -135.62 145.06 46.47 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.115 0.483 . . . . 75.33 111.299 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 63.1 p -79.85 95.67 6.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.219 0.533 . . . . 64.41 111.841 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -64.61 -27.68 69.1 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.217 -0.302 . . . . 74.31 111.765 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -69.79 -11.05 60.56 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.894 0.378 . . . . 73.05 111.79 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -107.59 28.26 8.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.029 0.442 . . . . 74.43 111.245 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.84 -21.78 50.92 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.106 0.41 . . . . 74.25 112.106 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.5 t -106.17 -94.69 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 111.781 0.289 . . . . 75.45 111.781 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 mt -157.67 167.48 29.97 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 121.146 0.498 . . . . 72.3 111.72 -175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -85.15 -164.88 1.06 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.839 -0.619 . . . . 75.45 110.989 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -137.65 152.44 49.32 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.905 -0.406 . . . . 71.14 109.905 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -56.27 138.64 50.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.426 0.632 . . . . 71.21 112.132 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -151.78 166.89 29.97 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.72 -0.673 . . . . 74.05 111.502 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -65.48 -53.56 40.87 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.212 -0.449 . . . . 73.32 112.027 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -173.93 119.69 0.28 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.94 0.4 . . . . 64.43 111.635 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.629 -0.701 . . . . 75.44 111.359 177.538 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 112.052 0.39 . . . . 72.11 112.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.38 94.21 1.21 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.303 0.483 . . . . 71.34 112.303 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.496 ' HB2' ' HZ2' ' A' ' 3' ' ' LYS . 9.7 mtmp? -138.5 141.49 39.37 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.54 -0.3 . . . . 51.01 111.033 176.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 59.24 25.79 14.45 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.559 0.577 . . . . 73.51 112.559 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -138.96 145.57 46.04 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-O 120.898 0.38 . . . . 74.44 111.795 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -84.81 174.92 7.16 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.648 2.232 . . . . 73.14 112.292 172.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -87.14 75.06 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 121.49 0.662 . . . . 71.4 110.467 177.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 51' ' ' ARG . 2.2 tm-20 -93.03 111.43 23.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.108 -0.496 . . . . 55.42 110.415 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -124.05 115.83 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 111.987 0.366 . . . . 64.12 111.987 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.23 28.2 14.76 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.595 0.591 . . . . 54.42 112.595 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.15 -20.57 44.74 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 121.451 -0.404 . . . . 75.13 112.646 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -85.07 103.83 14.43 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.95 0.405 . . . . 74.04 110.0 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 10.8 pt-20 -93.09 122.6 35.62 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.501 0.556 . . . . 72.2 112.501 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 56.8 m-85 -122.46 130.56 53.19 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.274 -0.421 . . . . 73.42 110.482 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.91 -8.25 57.43 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 122.143 -0.348 . . . . 74.44 111.897 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' ASP . 54.9 ttp180 -143.51 145.95 32.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.903 0.382 . . . . 72.41 111.542 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' NZ ' ' SG ' ' A' ' 95' ' ' CYS . 46.0 tptt -58.66 -42.11 87.66 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.519 0.562 . . . . 73.23 112.519 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.68 -32.88 44.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.199 0.523 . . . . 73.42 111.391 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.9 m-20 -69.91 -47.31 62.99 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.866 -0.606 . . . . 70.32 111.787 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.83 -39.6 71.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.293 0.568 . . . . 38.99 110.618 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 HD23 ' HE3' ' A' ' 17' ' ' LYS . 93.7 mt -64.03 -45.88 86.92 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.731 -0.668 . . . . 73.3 111.057 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.94 77.51 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.03 0.382 . . . . 71.52 112.03 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.96 -56.49 21.37 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.013 0.435 . . . . 74.54 111.053 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.487 ' HG2' ' HE1' ' A' ' 27' ' ' MET . 75.7 mtm -67.2 -22.2 65.74 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.281 -0.418 . . . . 74.25 111.719 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.15 -56.29 9.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.961 0.41 . . . . 72.22 111.032 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 -55.27 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.333 -0.394 . . . . 75.35 112.035 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.487 ' HE1' ' HG2' ' A' ' 24' ' ' MET . 26.2 ptt? -64.34 -33.7 76.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.965 0.358 . . . . 74.05 111.965 -176.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.428 ' HG ' ' HB2' ' A' ' 76' ' ' GLN . 51.6 tp -59.71 -49.97 75.67 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.117 0.484 . . . . 54.22 110.922 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -71.59 -16.18 62.29 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.949 -0.568 . . . . 64.11 112.081 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -67.85 -41.12 83.43 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.117 0.484 . . . . 75.4 111.07 174.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -90.51 157.98 17.26 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.459 0.647 . . . . 75.41 111.727 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.8 mtt85 -106.52 161.01 24.23 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 115.836 -0.62 . . . . 74.3 110.588 -177.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.14 76.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.616 2.211 . . . . 75.12 112.578 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 157.0 -26.99 0.51 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-N 114.974 -1.012 . . . . 70.12 112.923 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.31 137.22 55.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.271 0.557 . . . . 74.34 112.243 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.7 140.18 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.906 -0.588 . . . . 72.31 110.344 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.54 144.05 15.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 120.668 0.27 . . . . 70.22 111.322 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -65.07 165.57 10.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.346 0.594 . . . . 71.11 112.408 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 m -60.81 -27.79 68.3 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.929 -0.578 . . . . 74.45 111.337 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.73 -59.78 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.191 -0.459 . . . . 62.1 111.339 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.424 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 39.6 m-20 -63.04 -32.57 73.97 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.014 0.435 . . . . 75.13 111.23 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -57.7 -47.79 86.15 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.202 -0.454 . . . . 75.53 112.556 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.69 -35.48 74.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.139 0.495 . . . . 70.24 111.249 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.38 -47.41 85.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.905 -0.589 . . . . 74.04 110.397 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.68 -38.55 90.8 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.88 -0.6 . . . . 72.31 111.87 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG12 ' HE3' ' A' ' 50' ' ' LYS . 57.5 t -58.98 -48.51 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.856 0.36 . . . . 73.11 110.979 178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.93 -40.89 94.96 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.996 0.427 . . . . 74.44 111.35 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.04 -26.23 68.17 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.956 0.408 . . . . 64.33 111.562 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.14 -43.79 32.74 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.333 -0.394 . . . . 74.13 111.491 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.7 mttt -55.3 -18.83 7.03 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.102 0.778 . . . . 63.31 113.102 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 8' ' ' GLU . 94.6 mtt180 -87.88 17.32 4.95 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.346 0.498 . . . . 71.1 112.346 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -111.6 136.53 21.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.473 -0.33 . . . . 74.14 110.413 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -26.01 81.3 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.645 1.564 . . . . 72.21 110.593 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -19.4 59.02 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.411 -1.268 . . . . 71.23 111.997 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -51.35 -50.4 59.54 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.599 0.592 . . . . 74.21 112.599 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -48.04 -37.02 13.99 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 111.99 0.367 . . . . 61.01 111.99 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.4 t -74.43 -50.95 16.38 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.883 0.373 . . . . 73.11 110.95 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.6 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 22.6 mtmm -80.76 18.35 1.0 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.811 0.671 . . . . 63.21 112.811 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' HA ' HH11 ' A' ' 82' ' ' ARG . 80.9 mt -111.58 -47.72 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.372 -0.603 . . . . 63.03 109.372 164.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.88 -117.29 5.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.828 -0.624 . . . . 71.54 113.908 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.32 -19.0 15.57 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.802 2.334 . . . . 41.32 113.586 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.79 173.32 20.75 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.622 -0.799 . . . . 64.31 114.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.531 HG13 ' NH2' ' A' ' 82' ' ' ARG . 92.1 t -90.92 125.08 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.828 0.347 . . . . 72.54 111.689 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.455 ' HG2' ' ND2' ' A' ' 65' ' ' ASN . 78.4 ttt180 -91.11 -67.17 0.87 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.871 0.367 . . . . 75.22 110.424 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' ND2' ' HG2' ' A' ' 64' ' ' ARG . 9.7 p30 -168.55 -174.24 2.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.168 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -129.27 141.85 51.0 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.205 -0.452 . . . . 65.51 110.371 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -127.19 146.84 50.26 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.051 0.453 . . . . 65.3 111.914 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.9 t -101.22 119.26 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.989 0.423 . . . . 73.43 112.017 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 62.4 mtt180 -131.4 160.07 36.14 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.281 -0.418 . . . . 65.53 110.703 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.7 m -74.14 153.11 39.68 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.908 0.385 . . . . 70.34 111.352 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.638 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -113.55 -81.87 0.6 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.77 0.319 . . . . 60.42 111.307 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.03 -83.32 0.16 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.678 0.275 . . . . 71.34 111.271 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -135.57 -66.39 0.57 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.112 0.482 . . . . 71.15 110.794 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.83 -11.47 43.41 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.177 -0.465 . . . . 74.01 112.451 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.2 p -96.53 134.35 39.84 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.272 0.558 . . . . 71.2 111.987 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.428 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt-30 -103.78 -172.21 2.07 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.69 -0.686 . . . . 70.41 111.077 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.638 ' SG ' ' HB1' ' A' ' 71' ' ' ALA . 87.9 m -149.07 149.24 30.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.867 0.365 . . . . 72.2 111.411 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -87.89 118.41 27.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.262 -0.426 . . . . 74.33 111.039 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 42.2 m95 -93.55 127.05 39.03 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.25 0.548 . . . . 73.04 111.781 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.1 mt -89.76 106.4 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.669 -0.696 . . . . 75.24 111.728 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 81' ' ' LEU . 3.1 mm? -90.88 128.14 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.007 0.432 . . . . 74.12 110.807 176.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.6 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 3.0 mmp_? -103.12 152.21 21.67 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.288 -0.257 . . . . 74.41 111.314 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.3 p -59.26 -28.09 66.4 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 121.34 0.59 . . . . 71.11 110.716 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -55.31 -35.02 64.68 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.463 -0.789 . . . . 74.22 111.823 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.53 -29.47 6.93 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.345 -0.455 . . . . 75.34 112.456 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.4 m -63.87 149.55 46.81 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.057 0.391 . . . . 74.22 112.057 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.38 166.97 18.48 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.177 0.513 . . . . 72.24 111.638 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.527 ' HG2' ' HD3' ' A' ' 58' ' ' LYS . 9.2 tp10 -167.39 167.58 13.76 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.728 -0.669 . . . . 74.03 110.148 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 6.6 ptm180 -129.1 152.54 48.58 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 122.057 -0.402 . . . . 72.11 111.235 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -136.96 136.48 38.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.105 0.478 . . . . 73.2 111.493 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 m -86.06 96.03 9.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.373 -0.376 . . . . 73.21 111.811 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -55.24 -29.06 57.3 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.076 0.465 . . . . 74.44 111.807 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -69.12 -48.98 61.02 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.83 -0.623 . . . . 74.54 112.268 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -78.5 74.0 5.04 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.966 0.412 . . . . 74.24 111.647 -177.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.641 ' SG ' ' NZ ' ' A' ' 17' ' ' LYS . 25.5 p -179.1 58.52 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.896 -0.593 . . . . 73.11 110.919 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 17' ' ' LYS . 46.7 t -103.91 -71.07 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 121.098 0.475 . . . . 72.01 110.7 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 71.7 mt -135.68 151.51 50.26 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.074 -0.512 . . . . 73.4 110.76 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.9 167.7 10.93 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.158 0.504 . . . . 75.22 111.512 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -96.32 7.14 47.22 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.402 0.62 . . . . 74.42 110.112 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -59.31 -38.86 81.32 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.518 -0.765 . . . . 73.34 113.011 -170.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.47 -10.74 59.74 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.026 0.38 . . . . 72.43 112.026 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -147.76 95.45 2.51 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.217 0.532 . . . . 73.42 111.199 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -154.12 117.79 4.66 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.317 -0.401 . . . . 65.25 111.378 -174.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.6 p80 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.393 -0.813 . . . . 73.02 111.256 176.475 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.778 0.323 . . . . 75.14 111.552 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.27 117.58 19.65 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.953 0.406 . . . . 72.2 111.749 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.543 ' HB2' ' HZ3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -71.28 -21.51 62.08 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.396 -0.365 . . . . 63.04 111.914 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.79 147.16 52.96 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.013 0.745 . . . . 64.42 113.013 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -114.65 151.71 45.57 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 115.862 -0.608 . . . . 64.31 111.808 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.6 150.52 88.29 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.575 2.183 . . . . 64.22 112.824 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.2 mp -84.47 113.08 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 120.702 0.287 . . . . 71.44 111.746 -174.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -106.53 116.78 32.52 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.665 0.269 . . . . 50.52 110.585 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.2 mt -133.4 110.78 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.707 0.289 . . . . 74.11 111.623 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.88 34.48 24.87 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.835 0.68 . . . . 72.32 112.835 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.46 -0.55 77.84 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.18 -0.533 . . . . 51.13 113.074 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -101.98 112.63 25.34 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 122.684 -0.304 . . . . 75.13 110.435 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.57 124.86 41.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.01 0.433 . . . . 73.33 111.336 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -116.19 118.28 32.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.807 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 4.6 7.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.565 0.58 . . . . 72.23 112.565 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.6 ptt180 -164.15 152.08 12.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.021 0.438 . . . . 64.33 111.257 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -40.95 93.36 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.206 0.447 . . . . 74.33 112.206 -177.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.05 75.13 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.877 0.325 . . . . 72.42 111.877 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 37.3 t0 -61.01 -43.83 98.32 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.207 0.527 . . . . 71.44 110.934 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.81 86.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.154 -0.476 . . . . 61.43 111.624 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.4 -36.46 84.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.388 -0.369 . . . . 72.55 111.629 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.38 63.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.792 0.33 . . . . 64.12 111.033 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -50.09 -45.88 53.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.129 0.49 . . . . 74.12 111.413 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.535 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 77.7 mtm -70.75 -40.69 72.55 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.846 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -61.37 -44.6 96.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.725 0.298 . . . . 74.21 111.678 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.74 -56.12 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 111.707 0.262 . . . . 74.24 111.707 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.535 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 26.8 ptt? -62.8 -28.03 69.71 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.886 0.374 . . . . 75.2 111.02 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.65 -44.36 96.46 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.385 -0.37 . . . . 44.21 111.258 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -75.65 -22.85 56.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.706 0.288 . . . . 72.33 111.572 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -46.45 76.7 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.912 0.387 . . . . 73.32 110.304 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.01 129.8 34.89 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.108 0.48 . . . . 75.03 110.581 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' A' ' 34' ' ' GLY . 79.2 mtp180 -66.22 146.35 99.02 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.088 -0.505 . . . . 71.35 111.957 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -65.01 25.02 0.08 OUTLIER 'Trans proline' 0 CA--C 1.55 1.299 0 C-N-CA 123.453 2.769 . . . . 44.23 114.8 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -149.59 9.99 0.93 Allowed Glycine 0 CA--C 1.528 0.857 0 C-N-CA 121.373 -0.441 . . . . 73.25 112.838 174.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.15 172.97 6.62 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.439 0.533 . . . . 72.54 112.439 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -95.57 147.54 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.82 -0.627 . . . . 74.14 111.545 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -83.17 145.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.471 -0.331 . . . . 72.41 111.321 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 m -67.01 163.82 19.07 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.061 0.458 . . . . 72.11 111.972 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.8 m -59.29 -52.61 64.92 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.765 0.654 . . . . 73.42 112.765 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.16 -50.09 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 120.926 0.393 . . . . 63.43 111.824 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.01 -37.39 76.78 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.062 0.458 . . . . 74.32 110.937 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.04 -43.44 90.78 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.146 -0.479 . . . . 70.14 112.91 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.02 66.3 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.126 0.489 . . . . 71.41 110.991 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.74 -50.69 72.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.807 -0.633 . . . . 72.54 110.487 174.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.8 -38.95 76.42 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.752 -0.658 . . . . 75.22 111.646 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 97.6 t -58.59 -48.14 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.682 0.277 . . . . 71.45 111.345 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -64.53 -45.12 88.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.992 0.425 . . . . 62.1 111.146 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.07 68.25 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.091 0.472 . . . . 61.32 111.123 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 tp -74.38 -44.21 53.11 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.016 -0.538 . . . . 73.35 111.103 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 46' ' ' VAL . 64.9 mttm -52.99 -36.57 60.53 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.231 0.826 . . . . 64.14 113.231 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' NH2' ' SG ' ' A' ' 95' ' ' CYS . 36.7 ptt180 -77.52 14.01 1.11 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.2 0.445 . . . . 61.11 112.2 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -109.76 129.42 23.94 Favored Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 122.724 0.41 . . . . 71.32 110.083 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.79 -22.22 67.06 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.165 1.91 . . . . 72.02 112.434 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.72 -11.19 59.86 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.048 -0.524 . . . . 60.11 111.868 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.61 -51.17 22.16 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.802 0.667 . . . . 70.44 112.802 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -51.71 -35.43 42.9 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.996 0.739 . . . . 74.45 112.996 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -76.7 -30.28 56.64 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.738 0.304 . . . . 74.02 111.69 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -83.76 -29.37 27.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.998 0.428 . . . . 73.03 111.496 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 HG22 ' A' ' 63' ' ' VAL . 78.0 mt -78.74 -43.15 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.279 -0.419 . . . . 74.21 111.386 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.05 -130.93 49.9 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.987 -0.625 . . . . 64.43 112.411 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -75.3 -16.4 19.59 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.625 2.217 . . . . 71.01 113.469 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.95 150.87 6.18 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 37.4 113.86 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 59' ' ' ILE . 70.4 t -89.23 121.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 122.702 0.401 . . . . 72.31 111.174 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' HG3' HD21 ' A' ' 65' ' ' ASN . 32.3 tpt180 -77.64 -58.91 3.01 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.734 0.302 . . . . 75.52 111.114 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.42 HD21 ' HG3' ' A' ' 64' ' ' ARG . 10.1 p30 -166.39 -177.16 3.92 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.705 0.288 . . . . 72.44 111.023 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.28 133.65 55.42 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.845 0.355 . . . . 74.14 111.558 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -120.33 144.89 47.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.466 -0.334 . . . . 51.15 110.658 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.43 138.18 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.039 0.447 . . . . 64.32 112.071 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 63.9 mtt180 -142.46 -177.6 5.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.928 0.491 . . . . 52.54 110.522 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 86.7 p -91.09 175.66 6.87 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.499 -0.319 . . . . 73.15 110.302 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -139.87 -74.81 0.35 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.002 0.43 . . . . 41.44 111.897 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -98.08 -165.41 1.25 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.414 -0.357 . . . . 72.1 111.191 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -57.78 -29.17 64.63 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.035 0.383 . . . . 75.11 112.035 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.43 44.87 0.68 Allowed Glycine 0 CA--C 1.527 0.828 0 C-N-CA 120.909 -0.662 . . . . 73.52 113.338 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -138.17 157.26 46.65 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.275 0.56 . . . . 63.3 112.005 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 44.8 mt-30 -114.71 176.55 5.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.716 -0.675 . . . . 72.03 110.541 173.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 52.4 t -157.51 152.37 25.53 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.918 0.39 . . . . 72.43 111.864 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.56 123.87 39.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.06 -0.518 . . . . 74.32 111.043 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 55.1 m95 -103.34 134.44 46.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.045 0.45 . . . . 73.12 111.264 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.7 mt -95.01 115.49 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.412 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -84.95 112.04 20.23 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.812 0.339 . . . . 75.13 110.605 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -83.81 146.93 27.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.764 0.316 . . . . 74.42 111.602 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.1 p -64.93 -16.6 63.5 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.864 0.364 . . . . 71.02 111.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.83 -27.83 65.47 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.307 -0.406 . . . . 72.31 111.532 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.17 22.15 7.33 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 116.223 -0.444 . . . . 70.22 112.982 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.6 p -135.24 -179.43 5.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.758 0.314 . . . . 73.13 111.346 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 81' ' ' LEU . 5.2 pt-20 -142.57 150.14 39.98 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.618 0.599 . . . . 44.15 112.618 -175.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.36 146.8 15.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.154 -0.475 . . . . 62.24 111.14 171.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.438 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 28.4 ptt-85 -94.46 170.21 9.65 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.232 0.539 . . . . 71.34 112.165 -175.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -139.47 145.32 38.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.016 0.436 . . . . 74.04 111.064 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.3 m -83.59 85.67 7.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.896 0.379 . . . . 61.41 111.863 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -57.81 -26.61 62.21 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.978 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -63.6 -24.79 67.95 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.915 0.388 . . . . 71.2 111.651 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -110.58 79.81 1.24 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.182 0.515 . . . . 72.53 110.379 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.408 ' SG ' ' NH2' ' A' ' 51' ' ' ARG . 24.8 p -125.99 -58.88 1.36 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.241 -0.436 . . . . 73.33 111.757 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -73.09 88.65 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 121.118 0.485 . . . . 73.53 111.03 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.2 mt -141.69 134.48 28.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.158 0.504 . . . . 75.44 110.973 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -96.5 -66.68 0.89 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.989 -0.55 . . . . 63.55 109.98 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.49 -83.7 0.6 Allowed 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.542 -0.299 . . . . 74.33 110.65 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -151.29 122.78 7.89 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.834 0.679 . . . . 73.11 112.834 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -132.34 126.49 33.38 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.575 -0.739 . . . . 73.41 109.097 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.3 m80 72.87 86.51 0.11 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.083 0.553 . . . . 60.52 109.762 -167.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -112.79 169.73 8.7 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.539 0.685 . . . . 75.15 112.625 -173.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.6 m80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.302 -0.863 . . . . 72.42 110.299 170.031 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.524 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 120.836 0.351 . . . . 61.3 111.674 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.29 114.9 18.59 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.572 0.582 . . . . 75.43 112.572 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -93.69 37.36 1.07 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.227 0.537 . . . . 74.21 110.683 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.81 167.38 22.44 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.946 -0.57 . . . . 43.35 110.929 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 66.48 156.3 0.13 Allowed Pre-proline 0 N--CA 1.478 0.953 0 N-CA-C 112.433 0.531 . . . . 73.11 112.433 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.44 146.68 94.24 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.379 2.052 . . . . 64.42 112.446 174.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.492 HD11 ' N ' ' A' ' 7' ' ' ILE . 2.8 mp -77.01 95.73 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.898 0.38 . . . . 74.41 111.024 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 37.4 tt0 -103.19 118.87 37.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.116 0.484 . . . . 75.35 111.166 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.8 mt -126.1 125.2 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.286 -0.415 . . . . 62.2 111.255 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.18 32.91 22.45 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.071 0.397 . . . . 65.54 112.071 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.41 -10.05 62.67 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.961 -0.638 . . . . 54.11 113.376 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -91.53 108.89 20.21 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.13 -0.322 . . . . 73.25 110.13 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -87.34 135.27 33.39 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.257 0.551 . . . . 71.03 112.322 -176.229 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.41 ' HE2' ' HE1' ' A' ' 44' ' ' PHE . 64.3 m-85 -126.77 119.3 26.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.984 -0.553 . . . . 75.21 110.414 174.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.07 64.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.969 0.414 . . . . 61.42 112.01 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -144.98 144.34 30.99 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.322 -0.399 . . . . 74.21 111.207 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 95' ' ' CYS . 52.5 tptt -57.7 -35.5 70.71 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.799 0.296 . . . . 73.34 111.799 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.97 -47.52 74.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 72.33 111.421 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.67 -36.69 79.37 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.274 -0.421 . . . . 74.14 111.02 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.73 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.122 -0.49 . . . . 62.44 111.66 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.672 0.272 . . . . 74.23 111.07 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -58.56 -46.82 86.07 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.967 0.413 . . . . 73.01 110.852 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.72 -48.8 78.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.163 -0.471 . . . . 71.34 111.014 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.531 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 64.4 mtt -56.87 -49.37 75.7 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.135 -0.484 . . . . 70.53 111.251 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.55 -51.21 70.81 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.057 -0.519 . . . . 73.34 112.003 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 96.7 t -56.94 -59.24 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 111.81 0.3 . . . . 74.21 111.81 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.531 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 26.0 ptt? -58.93 -30.94 68.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.706 0.289 . . . . 63.54 111.263 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.75 -47.78 71.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.064 0.459 . . . . 71.53 111.436 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.487 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -64.5 -20.17 66.04 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.608 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 28.7 mmt180 -68.79 -23.25 64.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.902 0.382 . . . . 61.05 110.94 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -93.56 168.71 10.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.183 0.516 . . . . 74.42 110.772 173.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.63 165.12 14.31 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.157 -0.474 . . . . 74.34 109.952 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -67.35 35.36 0.15 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 122.722 2.282 . . . . 60.41 114.381 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.39 31.84 0.13 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 121.046 -0.597 . . . . 71.54 113.622 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.08 172.26 7.04 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.47 0.653 . . . . 71.34 112.425 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -99.88 139.52 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.647 -0.706 . . . . 74.33 110.88 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.4 145.38 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.822 0.344 . . . . 71.43 111.808 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -79.97 -176.72 5.64 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.842 0.682 . . . . 61.32 112.842 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.1 m -59.69 -68.25 0.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.923 0.712 . . . . 74.22 112.923 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.54 -44.61 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.213 0.53 . . . . 71.42 111.305 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 m-20 -56.7 -45.91 81.55 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.578 -0.737 . . . . 73.24 111.078 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -68.38 -42.91 80.81 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 116.261 -0.427 . . . . 40.01 113.02 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.52 87.73 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.128 0.49 . . . . 64.11 110.869 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' HE1' ' HE2' ' A' ' 14' ' ' PHE . 84.1 t80 -55.84 -44.99 78.52 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.741 -0.663 . . . . 75.0 111.043 175.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 94.1 mt -61.23 -43.35 99.01 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.117 -0.492 . . . . 73.24 111.798 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 42' ' ' GLY . 62.3 t -58.2 -46.9 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.194 0.521 . . . . 71.14 111.109 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.93 -34.47 77.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.14 -0.482 . . . . 75.43 111.439 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.22 61.37 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.881 0.372 . . . . 64.54 111.462 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.81 -48.24 15.15 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.29 -0.414 . . . . 71.03 111.687 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.56 -26.28 54.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.94 0.718 . . . . 73.55 112.94 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -81.21 20.14 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.047 0.451 . . . . 75.44 112.072 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -114.49 140.23 24.94 Favored Pre-proline 0 N--CA 1.471 0.582 0 N-CA-C 109.907 -0.405 . . . . 64.55 109.907 170.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.09 -27.13 83.89 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 121.982 1.788 . . . . 51.43 111.943 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 2.3 m-20 -73.62 -15.9 61.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.638 -0.71 . . . . 74.45 111.69 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.6 62.25 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.72 0.637 . . . . 73.14 112.72 -174.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 t -49.77 -40.11 40.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.904 0.383 . . . . 71.42 111.748 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -82.72 -33.98 27.39 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.004 0.43 . . . . 71.22 111.633 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 51.9 mttm -83.98 -6.76 59.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.57 0.581 . . . . 52.05 112.57 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.5 mt -110.11 -57.3 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.99 0.424 . . . . 73.41 110.881 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.36 -116.4 9.11 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 116.22 -0.445 . . . . 72.5 113.475 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.71 -20.82 15.16 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.718 2.279 . . . . 63.04 113.232 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.61 173.84 23.21 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.852 -0.69 . . . . 54.35 113.453 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.69 121.25 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 73.0 111.148 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -73.75 -52.68 12.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.727 0.299 . . . . 72.04 110.322 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -171.92 -177.4 1.92 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.227 0.536 . . . . 71.0 111.418 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -120.1 143.74 47.99 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.038 -0.528 . . . . 71.22 110.508 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.03 141.69 51.97 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.904 0.383 . . . . 74.45 111.398 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -101.13 120.79 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.919 0.39 . . . . 72.31 111.737 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -133.37 165.16 25.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.851 0.358 . . . . 75.2 111.027 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t -78.79 85.78 4.76 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.051 -0.722 . . . . 74.42 109.051 169.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 77' ' ' CYS . . . -60.24 -69.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.819 0.674 . . . . 55.2 112.819 -171.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -153.31 159.17 42.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.829 0.347 . . . . 65.31 111.881 -176.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 56.8 23.56 8.16 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.857 0.688 . . . . 75.31 112.857 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.26 22.47 77.5 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.021 -0.609 . . . . 52.13 113.027 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.8 p -120.39 135.53 55.01 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.008 0.433 . . . . 70.01 111.439 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.03 152.22 44.01 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.091 -0.504 . . . . 63.42 111.563 177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.502 ' HB2' ' HB1' ' A' ' 71' ' ' ALA . 90.6 m -152.68 161.85 42.03 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.397 -0.365 . . . . 52.43 110.847 174.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -90.56 131.47 36.26 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.115 0.483 . . . . 73.05 111.792 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -101.98 130.97 48.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.047 -0.524 . . . . 72.22 110.858 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.91 107.86 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.575 0.226 . . . . 75.33 111.451 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 87' ' ' GLU . 3.1 mm? -96.51 107.04 19.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.776 0.322 . . . . 63.44 110.454 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.525 ' NH1' ' HA ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -83.74 157.57 22.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.709 0.29 . . . . 65.55 111.573 -178.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.9 p -59.51 -28.78 67.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.369 0.604 . . . . 75.34 110.764 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -58.99 -26.37 64.45 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.552 -0.749 . . . . 73.32 111.596 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.38 -32.53 6.92 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 116.384 -0.371 . . . . 75.22 112.495 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -59.32 142.64 51.57 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.218 0.451 . . . . 71.21 112.218 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -114.7 157.29 23.36 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.765 178.191 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -154.81 115.84 3.99 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.186 0.517 . . . . 75.01 112.201 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.456 ' HD2' ' HB2' ' A' ' 71' ' ' ALA . 8.2 ttp180 -68.36 125.62 27.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.973 -0.558 . . . . 72.13 110.152 168.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -120.05 125.24 47.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.474 0.654 . . . . 75.53 111.096 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -72.59 88.45 1.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 45.12 111.68 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.623 ' HA ' ' SG ' ' A' ' 95' ' ' CYS . 37.6 p90 -55.92 -31.97 63.36 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.485 0.66 . . . . 73.44 110.342 174.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -59.08 -20.62 55.01 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.293 -0.867 . . . . 73.41 112.383 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -113.96 21.68 14.64 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.052 0.453 . . . . 63.45 111.854 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.623 ' SG ' ' HA ' ' A' ' 92' ' ' TYR . 89.1 m -84.12 38.06 0.64 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.087 0.47 . . . . 72.41 110.815 173.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.9 t -125.68 -64.88 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.906 -0.588 . . . . 65.14 110.261 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.7 mt -130.4 163.41 26.97 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.745 -0.662 . . . . 74.24 110.635 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.77 -170.81 2.28 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.583 0.586 . . . . 73.31 112.583 -174.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -65.62 -53.81 36.46 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.676 0.991 . . . . 75.45 113.676 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -177.86 97.91 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.638 0.256 . . . . 75.13 111.061 -172.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -60.12 150.08 30.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.601 0.715 . . . . 73.14 112.335 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -131.2 148.22 52.68 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.405 -0.816 . . . . 64.44 111.256 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -76.39 -42.95 42.72 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.127 0.489 . . . . 74.35 110.769 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.83 -0.605 . . . . 71.12 110.773 177.094 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.709 0.29 . . . . 73.24 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.78 99.94 5.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.132 0.491 . . . . 50.45 111.802 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 11.44 20.48 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.335 -0.393 . . . . 72.12 110.732 173.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.42 167.07 12.73 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.432 -0.349 . . . . 70.53 111.819 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 69.93 149.63 0.12 Allowed Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 123.177 0.591 . . . . 73.34 112.398 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.51 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 12.6 Cg_exo -70.89 175.72 8.64 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.573 2.182 . . . . 65.04 112.424 176.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.3 mp -71.36 88.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.039 0.447 . . . . 75.11 110.059 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.36 130.47 35.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.967 0.413 . . . . 63.33 111.295 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mt -138.0 113.66 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.357 -0.383 . . . . 73.33 110.727 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.94 25.56 15.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.922 0.392 . . . . 71.43 111.909 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.45 -11.09 69.0 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.323 -0.465 . . . . 55.1 113.164 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -83.27 117.83 23.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.413 -0.463 . . . . 74.21 110.486 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -91.9 121.85 33.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.339 0.59 . . . . 64.4 112.136 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 85.6 m-85 -115.36 110.31 19.18 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.965 0.412 . . . . 74.54 110.855 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.83 -3.81 10.74 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.687 0.625 . . . . 73.21 112.687 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -152.85 139.32 18.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.405 0.282 . . . . 72.34 110.584 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG3' HG12 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -58.78 -43.49 90.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.858 0.361 . . . . 65.22 111.544 -179.23 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.63 65.69 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.931 0.345 . . . . 64.24 111.931 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.51 -44.24 78.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.106 0.479 . . . . 65.44 110.014 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.74 -46.28 90.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.884 -0.598 . . . . 64.03 111.735 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.25 -43.78 98.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.51 -0.314 . . . . 74.42 111.027 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -58.97 -47.8 83.84 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.294 -0.412 . . . . 64.32 111.176 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.8 -53.72 55.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.3 -0.409 . . . . 73.13 111.419 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.2 mtm -62.16 -36.16 81.0 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.466 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 4.3 tmmm? -62.6 -49.41 75.33 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.841 0.353 . . . . 73.23 110.344 176.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 22' ' ' ALA . 79.1 t -57.12 -57.01 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.389 -0.368 . . . . 73.45 111.455 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -57.41 -39.63 76.58 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.792 0.329 . . . . 64.42 110.92 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.41 -41.78 81.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.225 0.536 . . . . 72.12 111.215 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.554 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -79.75 9.53 5.06 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.993 -0.549 . . . . 72.23 112.289 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 26' ' ' VAL . 2.3 mpt_? -103.59 -6.89 21.24 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.953 0.406 . . . . 71.52 111.019 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB2' HG21 ' A' ' 68' ' ' VAL . 84.9 m-85 -107.33 156.44 18.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 75.43 110.102 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.532 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -83.21 155.69 66.77 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 109.861 -0.422 . . . . 75.14 109.861 176.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HA ' HG13 ' A' ' 68' ' ' VAL . 55.9 Cg_endo -67.56 26.71 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.275 0 C-N-CA 122.838 2.359 . . . . 61.41 114.763 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.3 32.48 0.2 Allowed Glycine 0 CA--C 1.528 0.852 0 C-N-CA 120.991 -0.623 . . . . 73.42 113.498 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.532 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 6.5 m-20 -122.26 172.22 8.45 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.438 0.637 . . . . 75.13 112.666 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.503 HD12 ' HG2' ' A' ' 67' ' ' GLU . 42.0 mm -74.49 139.32 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.374 -0.83 . . . . 63.42 112.364 -176.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -82.8 150.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.172 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 p -68.17 171.65 6.76 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.289 0.566 . . . . 61.24 112.324 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.3 m -64.22 -48.29 76.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.058 -0.519 . . . . 75.32 111.536 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.33 -52.7 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.175 -0.466 . . . . 64.43 111.438 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.46 -40.72 68.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.941 0.4 . . . . 63.14 111.11 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -59.12 -53.7 44.16 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.352 -0.452 . . . . 73.5 112.836 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.79 73.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.139 0.495 . . . . 62.52 111.277 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -58.66 -51.56 69.4 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.789 -0.641 . . . . 73.13 110.684 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.47 -35.18 73.59 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.992 -0.549 . . . . 73.42 112.136 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.449 HG12 ' HE3' ' A' ' 50' ' ' LYS . 88.1 t -57.27 -51.78 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 120.885 0.374 . . . . 70.1 111.454 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -62.43 -41.29 98.61 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.782 0.325 . . . . 71.22 111.435 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -34.72 76.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.084 0.469 . . . . 61.42 111.233 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 tp -67.98 -39.02 83.38 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.992 -0.549 . . . . 64.34 111.537 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.2 mttt -59.0 -14.57 9.75 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.053 0.76 . . . . 73.31 113.053 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.619 ' HB2' ' SG ' ' A' ' 95' ' ' CYS . 15.8 mtm180 -90.05 13.9 13.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.29 0.567 . . . . 73.52 111.099 176.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -102.95 136.84 19.18 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.008 -0.542 . . . . 74.42 111.521 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.87 -22.04 49.57 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.057 1.838 . . . . 70.1 111.427 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.08 -1.98 58.03 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.639 -0.709 . . . . 74.54 112.123 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.2 -45.11 79.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.228 0.455 . . . . 75.4 112.228 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -56.98 -25.0 57.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.925 0.393 . . . . 73.01 111.838 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -89.85 -35.31 15.72 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.667 0.387 . . . . 75.22 111.436 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -72.78 -31.6 64.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.992 0.425 . . . . 43.24 111.722 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.504 HG22 HG22 ' A' ' 63' ' ' VAL . 72.2 mt -80.22 -44.05 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 116.334 -0.394 . . . . 63.41 111.233 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.23 -113.84 5.83 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 121.409 -0.424 . . . . 61.51 113.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.29 -20.35 8.5 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.568 2.178 . . . . 65.32 113.128 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.52 150.36 5.37 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.32 -0.467 . . . . 43.14 113.148 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 59' ' ' ILE . 58.8 t -87.71 115.12 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.041 0.448 . . . . 72.51 111.382 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -81.95 -55.96 4.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.925 0.393 . . . . 74.04 111.074 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -162.3 -175.79 4.75 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.935 0.397 . . . . 72.24 111.198 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CE2' HG12 ' A' ' 80' ' ' ILE . 79.6 m-85 -127.67 144.55 51.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.499 -0.319 . . . . 61.2 111.059 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HG2' HD12 ' A' ' 36' ' ' ILE . 44.0 mt-10 -129.93 151.85 50.04 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.034 0.445 . . . . 72.53 111.144 175.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 31' ' ' TYR . 58.4 t -89.93 147.1 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.084 0.469 . . . . 65.15 111.596 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . 3.5 tpm_? -141.45 163.58 32.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.368 -0.378 . . . . 75.12 110.46 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 57.6 p -73.38 159.38 33.39 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.649 0.262 . . . . 71.11 111.001 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -145.3 -177.56 5.62 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.299 0.571 . . . . 75.1 112.067 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.08 155.85 23.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.791 -0.64 . . . . 72.23 112.362 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 62.03 18.94 10.39 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.15 -0.477 . . . . 75.41 111.488 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.46 30.87 68.61 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.119 -0.562 . . . . 73.1 112.951 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 p -100.09 -162.65 0.96 Allowed 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.847 0.356 . . . . 74.42 111.234 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -129.39 167.16 18.2 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.747 0.308 . . . . 65.43 111.492 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 69' ' ' ARG . 28.0 p -149.5 157.25 43.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.888 0.375 . . . . 73.44 111.527 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.93 133.94 43.57 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.28 -0.418 . . . . 74.44 111.377 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -115.38 138.76 50.65 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.192 0.52 . . . . 75.12 111.802 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.445 HG12 ' CE2' ' A' ' 66' ' ' PHE . 48.1 mt -90.16 113.87 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.749 -0.659 . . . . 75.23 111.499 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.9 mm? -87.14 103.48 15.45 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.14 0.495 . . . . 72.14 110.584 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -79.91 148.37 31.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.858 -0.61 . . . . 64.44 111.697 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -58.65 -21.13 53.22 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.385 0.612 . . . . 73.03 110.852 175.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -52.65 -43.95 65.81 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.441 -0.799 . . . . 71.42 111.91 171.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.59 6.92 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.914 -0.66 . . . . 52.1 113.288 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.6 m -104.72 136.03 44.99 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.388 0.613 . . . . 73.21 112.078 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HB3' HD13 ' A' ' 81' ' ' LEU . 9.1 pt-20 -83.85 155.17 23.08 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.843 -0.617 . . . . 63.3 111.934 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -155.08 140.89 18.14 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.035 -0.53 . . . . 74.25 110.624 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -96.45 169.32 9.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.704 0.764 . . . . 74.3 112.755 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -142.96 132.01 23.04 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.679 -0.691 . . . . 63.34 110.557 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 p -70.65 97.5 1.35 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.116 0.484 . . . . 40.1 111.203 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.65 -38.13 88.49 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.326 0.491 . . . . 74.13 112.326 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -4.99 36.88 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.558 0.577 . . . . 74.53 112.558 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -97.54 -0.32 46.13 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.997 0.427 . . . . 71.2 111.307 174.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 51' ' ' ARG . 51.4 t -91.12 53.08 2.26 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.464 0.65 . . . . 74.24 110.347 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.534 HG12 ' HG3' ' A' ' 17' ' ' LYS . 59.0 t -80.1 -76.8 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.336 -0.847 . . . . 72.33 112.13 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 98' ' ' GLU . 2.0 tm? 178.6 152.16 0.32 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.612 -0.514 . . . . 75.14 109.612 -173.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.644 ' N ' HD12 ' A' ' 97' ' ' LEU . 69.0 mt-10 -56.5 113.0 1.42 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 120.839 0.352 . . . . 73.43 111.642 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -129.56 147.28 51.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.911 0.386 . . . . 70.51 111.448 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -56.49 164.4 1.42 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.985 0.735 . . . . 73.03 112.985 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -74.39 173.96 9.55 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.149 0.5 . . . . 55.41 112.046 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -84.09 149.51 26.17 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.041 -0.527 . . . . 65.2 111.441 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -143.57 15.11 1.79 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.302 0.482 . . . . 74.11 112.302 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.0 p80 . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.68 -0.676 . . . . 75.11 110.821 175.745 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 112.152 0.426 . . . . 71.32 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.77 110.86 3.43 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.995 0.426 . . . . 53.3 111.614 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -151.83 -160.66 1.18 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.882 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.42 88.88 0.33 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.101 0.477 . . . . 75.25 110.352 171.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -116.44 150.51 45.58 Favored Pre-proline 0 N--CA 1.47 0.541 0 CA-C-N 116.019 -0.537 . . . . 73.22 111.427 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.12 140.55 72.22 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 122.684 2.256 . . . . 72.15 113.055 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.1 mp -80.03 102.76 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 120.975 0.417 . . . . 54.34 111.216 -177.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -91.92 114.37 26.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.029 0.442 . . . . 64.11 111.065 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -126.89 110.43 23.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.463 -0.335 . . . . 71.24 111.319 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.07 33.22 22.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.003 0.43 . . . . 70.52 111.958 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 -22.41 39.59 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.49 -0.386 . . . . 72.14 112.972 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -78.66 104.68 9.43 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.734 0.302 . . . . 64.42 110.762 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -88.66 111.16 21.6 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.347 -0.388 . . . . 70.12 111.889 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 83.6 m-85 -94.38 123.84 38.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.41 -0.359 . . . . 74.55 111.15 177.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.251 0.463 . . . . 74.55 112.251 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HG2' ' OD2' ' A' ' 19' ' ' ASP . 19.6 ptp180 -130.06 165.68 21.73 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.879 0.371 . . . . 74.52 110.954 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.768 ' HE2' ' HA ' ' A' ' 96' ' ' VAL . 36.3 tptt -63.34 -38.47 91.29 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.354 0.597 . . . . 73.05 110.849 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.22 62.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.474 -0.784 . . . . 65.31 112.232 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD2' ' HG2' ' A' ' 16' ' ' ARG . 33.5 m-20 -62.17 -48.06 81.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.934 0.397 . . . . 54.4 111.286 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.45 84.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.281 -0.418 . . . . 71.13 111.734 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.13 -46.98 81.74 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.95 0.405 . . . . 75.41 111.607 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -61.0 -52.1 66.42 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.89 0.376 . . . . 74.44 111.511 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.523 ' O ' ' HG2' ' A' ' 27' ' ' MET . 88.9 t80 -53.2 -61.36 2.35 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.98 -0.554 . . . . 75.43 111.592 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.12 -31.39 68.89 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.612 0.597 . . . . 74.23 112.612 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -68.83 -47.56 65.71 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.87 -0.519 . . . . 72.13 111.225 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 22' ' ' ALA . 71.7 t -53.31 -58.28 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 120.67 0.271 . . . . 63.22 111.443 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 11.9 ptm -57.06 -41.09 78.09 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.376 -0.374 . . . . 71.21 111.538 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 HG11 ' A' ' 68' ' ' VAL . 53.7 tp -58.14 -41.14 83.05 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.019 0.438 . . . . 72.11 111.616 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.515 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -67.44 -21.35 65.56 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.333 -0.394 . . . . 70.11 111.997 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -76.55 -11.77 59.92 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.082 0.468 . . . . 75.3 110.982 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.411 ' HB2' HG21 ' A' ' 68' ' ' VAL . 90.7 m-85 -105.13 162.01 13.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.165 -0.47 . . . . 75.03 109.845 170.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 33.8 mtp180 -106.81 159.77 28.71 Favored Pre-proline 0 CA--C 1.538 0.508 0 O-C-N 122.123 -0.36 . . . . 71.44 110.843 176.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -65.06 26.0 0.08 OUTLIER 'Trans proline' 0 CA--C 1.552 1.396 0 C-N-CA 122.979 2.453 . . . . 61.3 114.469 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -156.03 33.41 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 112.15 -0.38 . . . . 61.34 112.15 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 m-20 -136.03 162.55 32.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.03 0.443 . . . . 72.3 111.759 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.27 144.89 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 121.155 0.502 . . . . 75.34 111.677 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.11 141.83 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.236 -0.438 . . . . 74.04 111.194 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -55.31 144.41 25.08 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.948 0.404 . . . . 74.32 111.852 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -58.97 -38.67 79.63 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.218 0.451 . . . . 64.23 112.218 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.65 -55.55 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 121.085 0.469 . . . . 65.1 111.128 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.89 -34.68 68.13 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.123 -0.489 . . . . 64.12 111.109 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -60.35 -46.09 94.96 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-N 116.171 -0.468 . . . . 71.35 112.751 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.77 -40.2 72.28 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.093 0.473 . . . . 71.54 111.095 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -59.82 -50.33 74.22 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.857 -0.61 . . . . 73.02 110.761 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.41 -35.9 74.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.854 -0.612 . . . . 71.42 112.016 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.504 HG13 ' HE3' ' A' ' 50' ' ' LYS . 89.4 t -57.82 -48.61 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 120.804 0.335 . . . . 74.45 111.034 176.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 50.1 mm-40 -67.61 -38.94 84.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.973 0.416 . . . . 70.33 110.76 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -32.27 70.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.151 0.501 . . . . 71.51 111.131 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 HD13 ' A' ' 80' ' ' ILE . 51.2 tp -73.39 -41.14 63.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.062 -0.517 . . . . 70.24 110.995 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HE3' HG13 ' A' ' 46' ' ' VAL . 98.6 mttt -60.09 -25.21 65.24 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.085 0.469 . . . . 70.05 111.562 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.3 mmp_? -62.33 -14.78 43.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.555 175.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.532 ' CE1' ' SG ' ' A' ' 95' ' ' CYS . 72.1 m-70 -101.19 144.29 28.28 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 122.742 0.417 . . . . 75.22 111.238 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.05 -16.76 40.79 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.26 1.973 . . . . 61.2 111.732 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.53 -9.43 59.33 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.783 -0.644 . . . . 72.52 111.635 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.96 20.79 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.068 0.766 . . . . 51.34 113.068 -173.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -51.52 -35.58 41.11 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.951 0.405 . . . . 70.31 112.082 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -81.68 -41.34 21.5 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.987 0.423 . . . . 70.15 111.387 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -75.53 -20.77 58.48 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.347 0.499 . . . . 64.3 112.347 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.6 -55.46 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.925 0.393 . . . . 73.45 111.144 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.37 -115.48 7.96 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.242 -0.504 . . . . 70.2 113.291 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 56.9 Cg_endo -69.61 -23.34 31.58 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.657 2.238 . . . . 62.4 113.045 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.03 167.5 12.26 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.98 -0.628 . . . . 54.43 113.213 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.54 118.74 48.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.016 0.436 . . . . 60.23 111.225 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -86.03 -46.95 10.02 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.894 0.378 . . . . 72.24 111.184 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -170.55 176.42 4.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.074 0.464 . . . . 72.25 111.141 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.75 132.22 55.57 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.374 -0.376 . . . . 72.22 110.687 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -121.63 139.03 54.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.416 -0.356 . . . . 72.24 110.382 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 HD12 ' A' ' 28' ' ' LEU . 68.6 t -87.97 134.8 27.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.835 0.35 . . . . 75.21 111.599 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HG3' HH11 ' A' ' 69' ' ' ARG . 12.5 ttm-85 -141.91 -175.2 4.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.481 -0.327 . . . . 73.24 110.223 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.9 p -75.81 167.0 22.69 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.265 0.555 . . . . 74.1 112.29 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.629 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -138.5 -77.92 0.36 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.855 -0.611 . . . . 64.13 111.25 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -87.04 -160.75 0.62 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.429 -0.35 . . . . 63.14 110.526 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -56.62 -31.81 64.68 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.417 0.525 . . . . 74.31 112.417 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.8 30.16 0.92 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 120.685 -0.769 . . . . 60.53 114.016 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.6 p -114.92 179.71 3.87 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.536 0.668 . . . . 74.24 112.051 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -121.03 168.29 11.68 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.086 -0.506 . . . . 71.0 112.048 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 20.6 m -153.53 154.06 33.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.063 -0.517 . . . . 72.21 111.121 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -82.43 119.75 24.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.463 -0.335 . . . . 74.45 111.189 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.427 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 42.5 m95 -101.61 127.27 48.41 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.559 0.695 . . . . 74.21 111.649 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.459 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 33.8 mt -83.89 103.56 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.468 -0.787 . . . . 65.12 111.896 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.02 104.79 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 75.43 110.122 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -81.89 151.38 27.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 71.14 111.764 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.0 p -59.5 -17.85 35.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.011 0.434 . . . . 70.04 111.732 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.515 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 5.2 t70 -54.4 -39.71 67.52 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.023 -0.535 . . . . 72.33 111.284 171.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.64 -34.25 3.07 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 115.749 -0.66 . . . . 41.31 112.218 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.4 t -88.64 167.55 13.27 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.458 0.647 . . . . 75.23 112.146 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -104.77 177.35 4.87 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.841 -0.618 . . . . 70.22 112.03 -177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.459 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 14.6 tp10 -158.29 168.11 27.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.596 -0.729 . . . . 75.02 109.403 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -140.15 152.43 46.06 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.639 -0.663 . . . . 75.02 112.029 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -138.53 110.78 7.38 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.318 0.58 . . . . 73.34 110.176 171.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -76.78 74.85 3.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.218 0.532 . . . . 65.11 111.419 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -52.12 -31.18 29.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.691 -0.686 . . . . 73.1 112.545 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HG3' ' HG2' ' A' ' 94' ' ' LYS . 47.5 pttt -54.92 -29.21 55.61 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.065 0.765 . . . . 71.22 113.065 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HG2' ' HG3' ' A' ' 93' ' ' LYS . 14.5 mmmm -111.77 22.03 15.4 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.954 0.407 . . . . 73.12 111.68 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.532 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 51.9 t -101.15 43.01 1.08 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.309 0.576 . . . . 55.32 110.787 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.768 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 60.1 t -98.21 -77.1 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 116.154 -0.476 . . . . 65.11 111.56 -177.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD13 ' N ' ' A' ' 98' ' ' GLU . 1.2 tm? -171.93 149.2 2.41 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.221 -0.659 . . . . 74.32 109.221 -175.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.61 ' N ' HD13 ' A' ' 97' ' ' LEU . 44.1 mt-10 -46.56 117.91 1.8 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.185 0.517 . . . . 73.14 111.865 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -49.21 144.67 4.93 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.777 1.029 . . . . 74.12 113.777 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -127.89 12.76 6.78 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.376 0.608 . . . . 74.55 110.735 174.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -166.95 145.03 4.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.66 -0.7 . . . . 74.45 109.925 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -153.54 115.57 4.32 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.913 0.387 . . . . 73.21 111.978 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -74.48 143.63 44.54 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.384 -0.371 . . . . 75.42 110.891 174.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 118.873 -0.584 . . . . 74.31 110.964 177.145 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.634 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 24.9 mmt . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.726 0.298 . . . . 74.54 111.21 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.3 164.62 19.87 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.071 0.463 . . . . 63.52 111.901 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -78.5 -15.6 58.43 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.242 -0.436 . . . . 71.42 111.411 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.62 95.09 4.49 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.909 0.385 . . . . 75.11 111.402 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -114.14 154.42 46.19 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.14 -0.482 . . . . 71.11 111.331 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -65.8 142.84 71.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.429 2.086 . . . . 70.2 112.566 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.472 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.9 mp -72.96 94.02 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.262 0.553 . . . . 63.03 110.326 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -87.91 110.46 20.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.254 0.55 . . . . 51.41 111.972 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt -124.56 120.3 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.86 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HA ' ' HG3' ' A' ' 47' ' ' GLU . . . 56.52 34.67 24.75 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.968 0.413 . . . . 62.43 111.966 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.74 -26.23 17.38 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 121.214 -0.517 . . . . 54.52 113.209 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -75.88 115.66 15.8 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.78 -0.247 . . . . 63.41 111.32 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -94.07 106.47 18.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.003 0.43 . . . . 54.22 111.121 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.71 139.47 30.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.861 0.362 . . . . 73.13 111.897 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.99 74.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.974 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -158.26 172.39 18.46 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.416 -0.357 . . . . 71.24 110.698 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HE2' HD23 ' A' ' 21' ' ' LEU . 22.3 tptm -57.25 -41.61 79.95 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.281 -0.262 . . . . 55.43 111.209 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.1 76.1 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.977 0.418 . . . . 60.32 111.662 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.27 -38.86 88.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.239 0.542 . . . . 63.14 110.314 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.53 83.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.018 -0.537 . . . . 72.4 111.071 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD23 ' HE2' ' A' ' 17' ' ' LYS . 84.0 mt -64.08 -32.03 73.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.358 -0.383 . . . . 72.31 110.882 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.94 -22.98 66.07 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.338 -0.392 . . . . 65.21 111.712 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' O ' ' HG3' ' A' ' 27' ' ' MET . 66.3 t80 -91.68 -56.87 2.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.113 0.482 . . . . 74.01 110.304 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.524 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 76.7 mtm -59.78 -46.01 90.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.971 0.73 . . . . 74.24 112.971 -176.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.48 -42.09 98.58 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.025 -0.422 . . . . 52.02 111.462 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.08 -38.28 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 121.025 -0.27 . . . . 74.53 111.324 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.524 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 47.7 mtm -60.02 -49.08 79.06 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.093 0.473 . . . . 71.22 109.77 173.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -52.95 -48.66 67.19 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.769 -0.65 . . . . 73.51 111.08 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -71.36 -24.96 62.18 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.917 -0.583 . . . . 74.4 111.797 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.39 -34.35 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.056 0.455 . . . . 75.52 110.714 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -97.97 156.62 16.54 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.995 0.426 . . . . 75.05 110.365 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -84.75 163.61 45.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 122.118 -0.364 . . . . 71.22 110.553 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -65.93 31.49 0.11 Allowed 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 122.954 2.436 . . . . 53.14 114.634 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.34 34.23 0.23 Allowed Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.087 -0.577 . . . . 53.34 113.462 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.75 161.08 28.13 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.347 0.594 . . . . 72.55 112.278 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.2 148.7 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.834 -0.621 . . . . 73.31 111.563 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -84.15 145.53 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 116.173 -0.467 . . . . 63.0 111.112 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.9 p -71.91 176.56 4.9 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.228 0.537 . . . . 60.14 112.308 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -61.2 -53.95 50.47 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.014 -0.539 . . . . 75.43 111.899 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.11 -55.37 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 116.269 -0.423 . . . . 64.23 111.561 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -44.56 66.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.042 0.449 . . . . 73.24 111.05 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -62.51 -49.91 69.33 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.179 -0.464 . . . . 74.22 113.28 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.55 -37.62 73.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.112 0.482 . . . . 72.25 111.146 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -59.99 -48.75 80.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.796 -0.638 . . . . 73.23 110.553 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.64 -37.79 79.63 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.05 -0.523 . . . . 63.22 111.81 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 42' ' ' GLY . 95.7 t -56.78 -47.51 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.942 0.401 . . . . 74.5 110.934 175.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 48.9 mm-40 -64.22 -48.63 75.09 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.429 -0.351 . . . . 72.31 111.495 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.97 64.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.302 0.572 . . . . 52.31 110.902 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.524 ' HG ' ' HB3' ' A' ' 55' ' ' ALA . 55.6 tp -64.67 -56.53 13.22 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.712 -0.676 . . . . 54.31 110.685 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.65 -21.24 38.7 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.475 0.917 . . . . 74.23 113.475 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.0 mmp_? -58.68 -17.08 19.52 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.947 0.403 . . . . 73.14 111.372 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.667 ' NE2' ' SG ' ' A' ' 95' ' ' CYS . 68.3 m80 -97.29 142.1 24.03 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 116.367 -0.379 . . . . 73.13 111.328 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.38 -34.76 65.02 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.575 2.183 . . . . 74.14 113.263 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.38 3.71 45.95 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.317 0.488 . . . . 71.14 112.317 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.524 ' HB3' ' HG ' ' A' ' 49' ' ' LEU . . . -59.51 -50.36 74.22 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.107 0.41 . . . . 72.13 112.107 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -46.9 -33.69 4.78 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.306 0.484 . . . . 72.13 112.306 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -60.58 -46.55 89.82 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.202 0.525 . . . . 72.05 111.419 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 33.6 mmtp -90.87 8.35 35.38 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.29 -0.413 . . . . 65.23 111.813 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 55' ' ' ALA . 79.3 mt -96.48 -55.71 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 120.808 0.337 . . . . 75.22 110.38 171.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.18 -127.67 27.32 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 116.049 -0.523 . . . . 61.5 113.794 176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HG2' ' OG1' ' A' ' 83' ' ' THR . 73.7 Cg_endo -71.64 -22.34 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.044 2.496 . . . . 74.22 113.676 -176.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.51 175.33 28.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.665 -0.778 . . . . 73.1 113.708 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.543 HG22 HH22 ' A' ' 82' ' ' ARG . 94.6 t -97.24 114.31 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.984 0.421 . . . . 62.42 111.798 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -56.0 5.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 74.54 109.736 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -170.64 176.03 4.42 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.275 0.56 . . . . 73.24 111.451 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -119.34 149.45 41.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.809 -0.632 . . . . 72.2 109.765 170.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -136.29 134.66 38.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.001 0.429 . . . . 70.21 111.753 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -88.4 103.45 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.233 -0.44 . . . . 55.41 110.084 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.533 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 79.6 ttt180 -123.46 155.58 37.2 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.575 -0.284 . . . . 75.01 111.008 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.7 p -58.74 159.5 6.69 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.446 0.906 . . . . 64.34 113.446 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.627 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -145.7 -178.08 5.92 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.511 -0.768 . . . . 60.54 111.143 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -71.87 167.92 19.0 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.714 0.293 . . . . 71.02 111.417 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 60.62 18.22 8.21 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.988 0.423 . . . . 73.52 111.39 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.84 29.18 73.5 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 116.242 -0.435 . . . . 41.04 113.352 -176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 p -102.43 -169.24 1.64 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.183 0.516 . . . . 74.32 111.795 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -127.0 172.04 10.82 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.504 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.627 ' SG ' ' HB3' ' A' ' 71' ' ' ALA . 99.6 m -146.13 144.43 29.97 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 111.969 0.359 . . . . 54.44 111.969 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -83.81 108.73 17.02 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.274 -0.421 . . . . 71.22 110.309 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.533 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 46.4 m95 -87.88 126.85 35.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.233 0.54 . . . . 75.24 112.247 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.528 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 60.1 mt -87.73 95.18 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.59 -0.732 . . . . 55.3 111.107 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.62 124.08 29.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.091 0.472 . . . . 72.45 111.078 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.543 HH22 HG22 ' A' ' 63' ' ' VAL . 5.7 mmp_? -93.76 147.21 23.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.385 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 61' ' ' PRO . 46.7 p -61.78 -21.8 64.88 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.45 -0.341 . . . . 55.41 111.691 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.44 -24.71 67.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.226 0.536 . . . . 73.54 111.41 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.43 -7.58 30.36 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 115.948 -0.569 . . . . 54.3 112.125 -171.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.8 t -83.28 176.03 9.45 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.622 0.369 . . . . 73.03 111.96 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.49 177.87 8.53 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.778 0.658 . . . . 72.42 112.778 -176.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.528 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 9.1 tp10 -169.68 155.46 5.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.586 -0.734 . . . . 70.02 110.466 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -133.08 112.53 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.034 0.445 . . . . 75.42 110.789 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.25 136.89 43.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.346 0.594 . . . . 75.15 111.796 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.2 p -78.01 88.16 4.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.917 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -48.4 -41.11 28.11 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.94 -0.573 . . . . 74.1 112.505 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.648 ' HG3' ' H ' ' A' ' 94' ' ' LYS . 59.2 pttt -67.94 -63.53 1.04 Allowed 'General case' 0 CA--C 1.542 0.637 0 O-C-N 122.143 -0.348 . . . . 74.45 111.245 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.648 ' H ' ' HG3' ' A' ' 93' ' ' LYS . 11.5 mptt -80.8 72.92 7.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.366 0.603 . . . . 75.52 110.758 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.667 ' SG ' ' NE2' ' A' ' 52' ' ' HIS . 46.8 t -150.45 13.47 0.75 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.477 -0.783 . . . . 65.21 110.931 178.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.492 HG21 ' HD3' ' A' ' 17' ' ' LYS . 97.9 t -150.38 93.1 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.456 0.702 . . . . 74.4 109.597 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.3 mt -140.06 179.99 6.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 44.23 110.646 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -150.68 129.15 12.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.444 -0.344 . . . . 74.02 111.004 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -62.55 88.17 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.448 0.642 . . . . 74.13 112.2 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -85.6 6.76 25.89 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.624 0.726 . . . . 74.01 110.967 173.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -134.39 150.54 50.9 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.351 -0.84 . . . . 62.5 108.793 167.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -84.18 24.72 0.91 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.347 0.594 . . . . 73.43 111.589 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -134.77 -49.05 0.75 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.606 -0.725 . . . . 52.44 109.994 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--O 1.255 1.389 0 CA-C-O 118.821 -0.609 . . . . 75.42 111.209 169.373 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 30.6 mmt . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.409 0.147 . . . . 73.22 110.659 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.77 162.83 34.51 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.639 0.607 . . . . 54.21 112.639 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -142.56 9.59 1.81 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.67 0.747 . . . . 62.11 110.178 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' GLN . . . -150.62 -165.12 2.18 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.723 -0.671 . . . . 75.1 110.851 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 4' ' ' ALA . 98.3 mt-30 72.57 149.95 0.13 Allowed Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 123.072 0.549 . . . . 73.23 112.245 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.75 162.88 23.46 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 122.595 2.197 . . . . 74.45 112.785 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.5 mp -78.15 84.45 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.243 0.544 . . . . 74.03 110.677 -177.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -88.38 123.18 32.69 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.61 179.039 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.0 mt -137.0 115.62 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 111.689 0.255 . . . . 74.21 111.689 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.78 30.79 16.73 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.207 0.817 . . . . 74.11 113.207 173.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.04 23.08 46.53 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.887 -0.673 . . . . 42.45 112.057 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -128.08 95.93 4.32 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.924 0.392 . . . . 72.04 109.982 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 12.1 pt-20 -82.79 105.69 14.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.471 0.653 . . . . 73.25 111.749 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 77.1 m-85 -91.13 117.09 29.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.088 -0.505 . . . . 75.35 110.768 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 -0.47 4.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.113 0.783 . . . . 63.31 113.113 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -167.86 152.29 6.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.341 -0.224 . . . . 75.24 111.116 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 23.4 mmmt -51.79 -48.15 63.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 111.672 0.249 . . . . 74.34 111.672 175.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.71 70.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 120.769 0.319 . . . . 71.53 111.771 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.47 -41.69 90.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.211 0.529 . . . . 73.24 111.046 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.53 66.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.185 -0.461 . . . . 65.23 111.83 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 77.9 mt -61.95 -42.64 99.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.883 0.373 . . . . 74.32 111.515 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.387 -0.369 . . . . 75.41 111.489 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.57 -49.48 76.49 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.089 0.471 . . . . 72.12 110.634 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.513 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 66.8 mtt -58.9 -40.38 84.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.985 -0.552 . . . . 74.45 111.247 177.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -57.08 -48.71 77.91 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.444 -0.344 . . . . 72.21 111.251 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 22' ' ' ALA . 94.2 t -56.58 -58.42 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 112.228 0.455 . . . . 73.31 112.228 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.513 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 26.8 ptt? -63.47 -39.33 94.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.782 0.325 . . . . 73.42 111.331 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.25 -45.03 92.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.19 0.519 . . . . 75.14 111.374 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.54 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -74.11 -9.72 58.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.023 -0.535 . . . . 75.11 112.192 -177.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -67.11 -35.99 80.96 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.538 -0.541 . . . . 74.54 109.538 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' HB2' HG23 ' A' ' 68' ' ' VAL . 49.3 m-85 -93.85 154.75 17.56 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.011 -0.541 . . . . 74.04 111.454 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 34' ' ' GLY . 34.2 mtp180 -91.09 165.49 21.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.276 -0.42 . . . . 73.32 110.939 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.58 26.19 0.05 OUTLIER 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.102 2.534 . . . . 74.32 114.746 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -154.16 14.04 0.55 Allowed Glycine 0 CA--C 1.527 0.829 0 O-C-N 122.039 -0.413 . . . . 73.33 112.603 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.64 160.66 14.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.511 0.672 . . . . 71.01 112.419 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mm -100.14 135.61 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.513 -0.767 . . . . 64.5 110.764 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 62.2 t -69.22 135.41 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 116.425 -0.352 . . . . 70.21 111.759 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -62.67 165.35 6.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.236 0.541 . . . . 63.22 112.185 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.7 m -59.85 -48.6 81.02 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.442 0.534 . . . . 74.21 112.442 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.45 -54.97 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.061 0.458 . . . . 74.25 111.458 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.37 -41.35 69.08 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.97 -0.559 . . . . 73.33 111.035 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -61.44 -44.41 98.06 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 116.044 -0.525 . . . . 65.21 112.545 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.13 69.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.052 0.453 . . . . 52.13 111.54 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.57 -48.07 76.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.269 0.557 . . . . 74.41 110.656 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.33 -37.07 79.47 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.864 -0.607 . . . . 61.0 111.867 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 42' ' ' GLY . 98.2 t -56.2 -51.68 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 120.709 0.29 . . . . 74.24 111.228 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.82 -45.88 92.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.042 0.449 . . . . 73.22 111.233 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.58 -29.93 68.3 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.093 -0.503 . . . . 44.43 111.775 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.94 -48.31 10.11 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.004 0.372 . . . . 75.52 112.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 46' ' ' VAL . 52.1 mtmt -57.86 -27.01 62.85 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.922 0.712 . . . . 63.54 112.922 -175.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -82.4 19.06 1.3 Allowed 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.2 0.524 . . . . 63.54 111.894 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -94.36 151.45 39.42 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 122.877 0.471 . . . . 75.31 111.227 172.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.25 -25.63 18.53 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.103 1.869 . . . . 71.5 111.151 168.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.85 -2.35 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.207 -0.906 . . . . 73.35 112.126 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.8 -45.61 40.51 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.314 0.857 . . . . 62.04 113.314 -173.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t -46.9 -50.12 19.25 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.77 0.655 . . . . 74.54 112.77 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -67.8 -30.42 69.84 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.211 0.529 . . . . 73.21 111.286 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -84.94 -7.12 59.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.009 -0.542 . . . . 72.21 111.771 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 75.4 mt -111.81 -60.34 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 112.064 0.394 . . . . 74.12 112.064 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.11 -113.36 5.7 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 114.304 0.481 . . . . 53.0 114.304 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.522 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 72.5 Cg_endo -75.38 -27.11 9.69 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.026 2.484 . . . . 70.44 114.52 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.43 176.19 21.65 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 120.43 -0.89 . . . . 44.31 113.889 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.781 HG21 HH12 ' A' ' 82' ' ' ARG . 29.4 t -90.99 117.78 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.246 0.462 . . . . 71.42 112.246 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 14.2 ttt180 -90.2 -60.8 1.83 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.814 0.34 . . . . 74.33 110.206 170.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.456 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.1 p-10 -171.54 -176.32 1.79 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.004 -0.544 . . . . 62.1 110.817 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.406 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.5 m-85 -125.56 154.62 41.91 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.436 -0.347 . . . . 72.43 110.307 173.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -128.97 147.36 50.85 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.872 0.368 . . . . 74.11 111.437 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 31' ' ' TYR . 95.7 t -103.19 119.62 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.879 0.371 . . . . 74.45 111.561 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 79.0 mtp180 -134.7 178.3 7.11 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.804 0.335 . . . . 74.51 111.019 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 m -76.66 159.2 30.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.971 0.415 . . . . 72.13 111.837 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 77' ' ' CYS . . . -127.84 -75.68 0.57 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.769 0.319 . . . . 73.43 111.108 177.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.14 -162.01 0.56 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 110.146 -0.316 . . . . 73.01 110.146 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -56.14 -48.89 75.37 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.203 0.525 . . . . 61.13 111.255 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.72 42.3 1.35 Allowed Glycine 0 CA--C 1.529 0.916 0 C-N-CA 121.303 -0.475 . . . . 42.1 113.305 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.5 p -126.17 170.97 11.27 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.044 0.45 . . . . 74.25 111.208 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -117.69 171.71 7.85 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.248 -0.433 . . . . 75.23 111.735 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 29.9 p -155.07 158.58 39.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.826 0.346 . . . . 65.22 111.279 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -94.83 131.15 41.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.121 0.486 . . . . 71.22 111.395 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.536 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 29.8 m95 -107.92 138.98 43.23 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.002 -0.545 . . . . 75.25 111.694 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.2 mt -94.82 112.24 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 115.789 -0.641 . . . . 72.23 112.044 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.05 117.2 33.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.924 0.393 . . . . 73.13 110.936 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.781 HH12 HG21 ' A' ' 63' ' ' VAL . 34.8 mmt180 -104.62 149.25 25.7 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.097 0.475 . . . . 72.22 112.125 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -55.84 -28.3 55.71 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.785 -0.643 . . . . 74.2 112.085 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 23.4 t70 -55.46 -33.53 63.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.326 -0.397 . . . . 75.53 111.845 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.9 -26.82 7.76 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.34 -0.457 . . . . 53.24 112.518 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 p -73.77 155.92 38.37 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.917 0.389 . . . . 73.31 111.488 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.48 41.99 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.254 0.549 . . . . 61.04 112.265 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -135.28 -171.77 2.9 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.994 -0.548 . . . . 72.43 110.722 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 79' ' ' TRP . 15.8 ptt180 -140.81 171.97 13.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.128 -0.323 . . . . 73.23 110.128 172.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.25 128.84 10.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.238 0.542 . . . . 73.44 111.833 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 m -85.41 95.42 9.25 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.044 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -53.14 -29.12 29.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.724 0.638 . . . . 75.42 112.724 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -68.02 -22.56 64.97 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.693 0.627 . . . . 73.35 112.693 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.05 -7.43 57.02 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 111.909 0.337 . . . . 73.33 111.909 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.403 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 50.1 t -103.51 82.04 1.99 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.175 0.512 . . . . 64.44 110.596 -177.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.412 HG22 ' HE2' ' A' ' 17' ' ' LYS . 61.1 t -113.7 -67.42 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.16 -0.473 . . . . 60.41 111.391 -178.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 43.5 mt -158.37 -176.96 6.2 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.12 0.486 . . . . 75.42 111.317 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.05 143.72 49.76 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 109.288 -0.634 . . . . 72.25 109.288 174.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 53.07 56.37 7.62 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.458 0.647 . . . . 72.11 111.193 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -149.94 123.41 9.07 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.981 -0.554 . . . . 74.44 111.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -153.13 104.52 2.81 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.205 0.526 . . . . 71.12 111.37 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -100.27 138.18 37.68 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.897 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -113.32 107.59 16.09 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.223 0.535 . . . . 73.54 111.553 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.574 -0.727 . . . . 72.34 111.02 176.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.557 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 74.02 111.125 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.87 85.85 5.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.888 0.375 . . . . 74.14 111.308 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -167.11 149.55 6.16 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.388 -0.369 . . . . 74.52 111.684 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.87 118.74 23.16 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.436 -0.347 . . . . 64.2 110.399 172.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -57.64 134.41 82.52 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.234 0.457 . . . . 61.45 112.234 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.93 147.17 67.59 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.537 2.158 . . . . 70.21 111.89 173.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mp -84.73 106.61 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 72.23 111.064 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 121.53 44.31 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.891 0.376 . . . . 61.45 110.46 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -131.98 118.22 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 116.432 -0.349 . . . . 74.15 111.564 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.9 24.67 14.72 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.615 0.598 . . . . 74.33 112.615 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.24 -6.66 61.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 74.25 112.887 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -95.19 108.79 20.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.538 -0.389 . . . . 74.51 110.544 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.58 129.32 34.96 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.194 0.521 . . . . 73.22 111.567 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 70.3 m-85 -122.65 136.01 54.76 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.367 -0.379 . . . . 72.24 111.43 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.34 82.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.12 0.415 . . . . 74.45 112.12 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.59 173.71 11.37 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.159 0.504 . . . . 75.24 111.575 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HE2' HG21 ' A' ' 96' ' ' VAL . 34.3 tptt -58.23 -39.24 78.57 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.036 -0.529 . . . . 71.43 111.769 -178.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -31.89 30.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.69 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.556 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 41.2 m-20 -65.66 -53.22 44.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.426 -0.352 . . . . 75.21 111.487 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.61 -42.97 89.41 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.011 0.434 . . . . 75.14 111.37 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.091 -0.504 . . . . 71.34 111.07 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.74 -46.66 88.65 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.795 0.331 . . . . 72.25 111.42 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.16 -57.34 13.27 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.489 -0.323 . . . . 71.11 110.709 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.692 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 73.7 mtm -55.61 -34.41 64.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.249 0.462 . . . . 73.32 112.249 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HA ' ' HH ' ' A' ' 92' ' ' TYR . 23.3 tptm -64.81 -52.55 56.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.91 0.386 . . . . 74.11 111.231 177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.46 -53.52 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.279 -0.419 . . . . 64.12 111.6 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.692 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.3 ptm -56.3 -38.42 71.22 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.8 0.333 . . . . 64.43 110.977 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.85 -47.48 83.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.948 0.404 . . . . 74.21 111.285 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -75.67 -13.11 60.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.94 0.4 . . . . 73.23 111.334 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.06 -34.23 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.994 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -84.49 155.01 22.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.01 0.433 . . . . 75.05 110.544 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 10.1 mpt_? -87.8 161.35 44.77 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.648 -0.251 . . . . 74.32 110.331 177.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 59.1 Cg_endo -71.19 52.14 1.44 Allowed 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 122.674 2.249 . . . . 74.33 113.411 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.76 21.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.055 -0.52 . . . . 53.34 112.941 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -110.31 160.78 16.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.285 0.564 . . . . 72.53 112.403 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 ' HG3' ' A' ' 67' ' ' GLU . 47.2 mm -91.61 137.57 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.63 -0.714 . . . . 64.02 110.313 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.33 140.19 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 120.939 0.4 . . . . 51.44 111.415 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -63.3 161.16 14.4 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.45 111.792 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.1 m -60.54 -48.76 80.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.892 0.33 . . . . 72.13 111.892 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.31 -51.48 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.139 0.495 . . . . 63.01 111.314 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -40.23 72.29 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.861 -0.609 . . . . 73.33 110.828 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -62.62 -42.49 99.69 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.017 -0.538 . . . . 65.12 112.601 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.67 -36.46 67.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.068 0.461 . . . . 41.22 111.33 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.44 -45.89 82.05 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.991 -0.55 . . . . 75.32 110.543 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.64 -38.09 88.9 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.18 -0.464 . . . . 64.22 112.057 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 42' ' ' GLY . 91.0 t -59.26 -48.41 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.178 0.513 . . . . 73.34 110.668 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -61.84 -47.55 84.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.89 -0.596 . . . . 75.21 111.256 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.377 -0.374 . . . . 63.51 111.072 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.72 -44.11 94.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.249 -0.432 . . . . 62.35 111.236 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.79 -33.67 61.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.115 0.483 . . . . 65.0 111.4 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.73 34.91 0.4 Allowed 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 112.35 0.5 . . . . 75.22 112.35 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -122.59 145.49 45.09 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 122.627 0.371 . . . . 74.35 111.197 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -15.92 35.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.457 2.105 . . . . 70.24 112.165 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -100.88 13.88 33.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.013 -0.539 . . . . 61.12 111.234 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.85 -59.89 2.78 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.583 0.586 . . . . 65.45 112.583 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -48.81 -39.58 25.94 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.455 0.539 . . . . 64.42 112.455 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -71.91 -39.05 69.79 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.917 0.389 . . . . 62.43 111.881 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -87.0 -12.46 47.37 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.038 0.384 . . . . 74.3 112.038 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -93.69 -57.48 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 122.069 -0.394 . . . . 70.34 111.326 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.66 -125.5 37.11 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 121.398 -0.43 . . . . 53.34 113.079 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.79 -21.15 25.33 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.724 2.283 . . . . 65.0 113.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.13 169.85 16.76 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.758 -0.734 . . . . 74.43 113.71 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.459 HG23 HH22 ' A' ' 82' ' ' ARG . 61.2 t -91.09 124.77 43.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 111.867 0.321 . . . . 73.4 111.867 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 72.9 ttt180 -93.67 -65.88 0.96 Allowed 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.604 -0.271 . . . . 73.23 110.868 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 2.4 p-10 -158.08 -175.84 5.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.767 0.318 . . . . 53.31 111.604 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -138.25 129.59 27.52 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.523 -0.308 . . . . 74.52 111.411 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG3' HD13 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -99.59 145.34 27.65 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.914 0.387 . . . . 72.54 111.269 172.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.81 116.78 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.549 -0.296 . . . . 60.13 111.145 175.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 69' ' ' ARG . 53.5 mtt180 -136.3 -178.49 5.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.674 0.273 . . . . 73.43 110.941 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 60.2 p -82.22 163.56 21.8 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.083 0.468 . . . . 65.24 111.391 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -121.78 -63.7 1.28 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.097 -0.501 . . . . 64.32 110.784 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -113.15 -157.59 0.63 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.029 -0.532 . . . . 64.04 110.641 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -57.7 -50.86 71.79 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.068 0.396 . . . . 74.34 112.068 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -128.44 35.42 2.69 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.959 -0.639 . . . . 40.4 113.301 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 p -127.67 158.24 38.1 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.051 0.453 . . . . 53.34 111.596 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.2 mt-30 -119.4 176.8 5.17 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.126 -0.488 . . . . 55.52 110.762 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 41.9 t -160.54 146.08 14.83 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.007 0.432 . . . . 74.34 111.875 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.08 137.53 34.06 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.751 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -104.84 122.12 45.1 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.349 0.595 . . . . 74.02 111.726 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.435 HG21 ' NE ' ' A' ' 82' ' ' ARG . 51.9 mt -80.64 92.83 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.627 -0.715 . . . . 64.02 111.882 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 87' ' ' GLU . 4.2 mm? -81.53 117.64 22.09 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.165 0.507 . . . . 71.53 111.009 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.459 HH22 HG23 ' A' ' 63' ' ' VAL . 5.0 mmp_? -86.22 158.23 19.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.064 -0.516 . . . . 74.41 111.237 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -64.83 -15.78 62.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.808 0.337 . . . . 73.01 111.11 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -63.71 -33.83 76.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.444 0.64 . . . . 73.12 110.709 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.8 -24.81 10.66 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 115.608 -0.724 . . . . 65.2 111.897 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 m -66.97 157.07 34.27 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.889 0.375 . . . . 62.44 111.618 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.498 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -119.5 -178.36 3.59 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.509 0.559 . . . . 74.22 112.509 179.163 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.56 166.39 8.24 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.26 -0.645 . . . . 75.4 109.26 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 3.1 ptm180 -138.52 134.86 34.47 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.725 -0.609 . . . . 63.54 111.497 176.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -124.37 113.74 18.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.192 0.52 . . . . 74.25 111.846 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.77 81.78 0.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.069 0.461 . . . . 72.35 110.601 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.583 ' HH ' ' HA ' ' A' ' 25' ' ' LYS . 40.2 p90 -52.86 -25.86 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.64 0.978 . . . . 70.34 113.64 -174.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -60.98 -28.2 68.83 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.665 0.269 . . . . 65.22 111.595 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HZ3' ' HB3' ' A' ' 94' ' ' LYS . 2.9 mmmp? -104.18 75.72 1.28 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.422 0.63 . . . . 73.33 110.82 176.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.2 t -166.53 47.0 0.07 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.415 -0.811 . . . . 43.13 110.378 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.488 HG21 ' HE2' ' A' ' 17' ' ' LYS . 39.8 t -120.13 -72.06 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.44 0.638 . . . . 38.2 111.411 -176.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -155.16 108.27 2.79 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.674 -0.862 . . . . 72.21 108.674 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -162.54 102.23 1.06 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.153 0.502 . . . . 71.41 111.902 -169.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -61.89 140.34 58.3 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.881 -0.599 . . . . 75.3 111.904 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -47.48 106.82 0.1 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.786 -0.643 . . . . 75.52 112.487 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -167.11 142.21 4.05 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 109.495 -0.557 . . . . 75.32 109.495 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -57.84 143.34 42.76 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.736 0.643 . . . . 63.14 112.736 -172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -59.13 145.71 41.43 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.713 -0.676 . . . . 73.2 111.914 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.7 m170 . . . . . 0 C--O 1.253 1.268 0 CA-C-O 118.624 -0.703 . . . . 72.13 111.199 172.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.745 0.307 . . . . 53.4 111.563 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.39 167.35 12.42 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.117 0.414 . . . . 64.25 112.117 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.412 ' N ' ' HD3' ' A' ' 3' ' ' LYS . 3.4 mppt? -87.59 -3.16 58.99 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.297 -0.41 . . . . 73.44 111.565 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.37 97.89 11.06 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.246 0.462 . . . . 61.32 112.246 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.78 143.7 28.43 Favored Pre-proline 0 N--CA 1.469 0.508 0 CA-C-N 116.464 -0.334 . . . . 60.42 110.787 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.94 144.3 56.98 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.793 2.329 . . . . 74.42 113.627 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.486 HG21 ' NH1' ' A' ' 51' ' ' ARG . 2.3 mp -68.8 94.09 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.031 0.443 . . . . 64.5 110.273 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 113.87 24.54 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.325 -0.398 . . . . 72.24 110.941 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -131.6 117.07 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.367 -0.378 . . . . 65.32 111.109 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.8 27.13 15.62 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.456 0.539 . . . . 73.25 112.456 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.2 63.29 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.468 -0.396 . . . . 74.44 113.142 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -99.33 109.53 22.13 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 122.516 -0.402 . . . . 75.55 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -91.98 109.17 20.51 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.077 0.465 . . . . 72.31 111.582 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -100.5 104.02 15.38 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.411 -0.359 . . . . 74.42 111.269 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.17 68.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.213 0.53 . . . . 65.43 111.396 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 9.1 tpp180 -110.49 130.3 55.59 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.264 -0.425 . . . . 41.03 111.06 177.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.65 ' HE2' HG21 ' A' ' 96' ' ' VAL . 52.9 tptt -55.65 -41.55 73.75 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.96 0.41 . . . . 64.01 111.19 175.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.11 70.26 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.737 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 28.5 t0 -66.43 -42.11 88.19 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.296 0.569 . . . . 74.41 110.14 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' MET . . . -59.84 -48.7 80.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.941 -0.572 . . . . 73.12 111.075 173.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD23 ' HE3' ' A' ' 17' ' ' LYS . 80.3 mt -60.26 -37.11 79.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.961 -0.563 . . . . 74.01 111.219 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.96 -61.68 2.45 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.049 -0.523 . . . . 60.1 110.993 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.3 -46.47 62.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.937 0.399 . . . . 74.41 111.626 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.49 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 66.6 mtt -57.4 -42.38 82.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.141 -0.481 . . . . 71.22 111.528 178.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HA ' ' HB3' ' A' ' 28' ' ' LEU . 52.0 tttp -82.5 -22.07 35.23 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.634 0.605 . . . . 72.23 112.634 -177.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.5 t -59.9 -47.29 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.898 -0.501 . . . . 71.4 110.699 175.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 25.5 ptt? -73.7 -36.21 65.24 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.379 -0.373 . . . . 70.33 111.102 175.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB3' ' HA ' ' A' ' 25' ' ' LYS . 57.1 tp -56.79 -44.91 82.38 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.073 0.463 . . . . 75.32 111.548 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.3 -14.08 60.85 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.071 -0.513 . . . . 73.24 111.773 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -79.54 -33.85 41.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.938 0.399 . . . . 74.53 110.631 175.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -84.55 175.86 9.0 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.161 0.505 . . . . 64.02 111.266 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -119.99 155.34 55.47 Favored Pre-proline 0 N--CA 1.469 0.482 0 CA-C-N 116.295 -0.411 . . . . 75.31 111.099 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.23 75.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.76 2.307 . . . . 71.14 112.578 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.11 -10.66 0.76 Allowed Glycine 0 CA--C 1.528 0.874 0 CA-C-N 114.823 -1.081 . . . . 70.15 112.913 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.84 152.27 20.83 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.336 0.589 . . . . 74.32 112.192 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.28 144.51 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.829 -0.623 . . . . 73.21 111.586 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.69 145.35 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 116.479 -0.328 . . . . 74.4 111.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -64.92 162.13 17.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.041 0.448 . . . . 51.12 111.611 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.9 -42.07 99.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.885 0.374 . . . . 71.2 111.308 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.23 -54.3 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.031 0.443 . . . . 74.43 111.824 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 49.0 m-20 -71.8 -29.2 64.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.081 0.467 . . . . 73.04 111.031 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.69 -43.23 99.53 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.254 -0.498 . . . . 75.44 112.767 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.78 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.986 0.422 . . . . 64.31 111.514 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.4 -46.39 88.83 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.111 -0.495 . . . . 70.53 110.691 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.73 -39.47 94.18 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.961 -0.563 . . . . 65.12 111.532 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.504 HG13 ' HE2' ' A' ' 50' ' ' LYS . 61.4 t -58.41 -50.6 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 120.735 0.303 . . . . 70.11 110.919 177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -56.85 -48.16 78.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.115 0.483 . . . . 73.42 111.278 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -33.01 67.56 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.142 -0.481 . . . . 63.33 111.409 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 HD12 ' A' ' 80' ' ' ILE . 56.6 tp -74.2 -44.47 53.19 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.293 -0.412 . . . . 72.13 111.588 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HE2' HG13 ' A' ' 46' ' ' VAL . 68.8 mttm -50.52 -49.31 56.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 71.23 112.224 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.486 ' NH1' HG21 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -80.2 37.8 0.39 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -173.749 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -134.4 150.48 74.01 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.634 0.374 . . . . 72.22 111.313 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.03 -19.32 68.78 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.477 2.118 . . . . 72.24 112.756 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.34 -5.65 56.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.26 -0.427 . . . . 70.55 111.959 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.54 -68.46 0.19 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.402 0.89 . . . . 73.2 113.402 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -51.31 -32.43 25.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.806 0.669 . . . . 74.54 112.806 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -77.23 -46.32 23.58 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.098 0.475 . . . . 71.02 111.59 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.655 ' HG2' ' HG2' ' A' ' 88' ' ' GLU . 56.1 mttp -87.1 -2.62 58.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.562 0.578 . . . . 73.55 112.562 -175.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -107.2 -52.98 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.995 0.426 . . . . 64.5 110.911 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.57 12.99 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.975 -0.631 . . . . 53.43 112.052 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -78.67 -40.93 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.443 2.095 . . . . 74.54 112.718 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.34 176.86 48.24 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.981 -0.628 . . . . 72.2 113.5 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.24 130.24 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.827 0.346 . . . . 62.41 111.375 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.76 -54.93 4.55 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 120.806 0.336 . . . . 73.31 110.141 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -168.22 -177.41 3.26 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.286 -0.416 . . . . 72.05 111.162 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -119.85 145.42 46.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.743 0.306 . . . . 72.33 111.277 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -126.86 134.75 50.44 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.882 0.372 . . . . 73.34 111.534 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.9 t -91.09 106.27 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.701 0.286 . . . . 74.34 111.232 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -119.77 154.2 34.56 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.232 -0.292 . . . . 72.31 110.756 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.8 p -73.13 134.58 44.51 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.816 0.341 . . . . 73.2 111.108 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.97 -66.22 0.92 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.983 0.42 . . . . 54.15 111.461 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -110.57 -169.25 1.43 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.261 -0.427 . . . . 74.04 111.584 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -49.43 -31.22 9.3 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.849 0.685 . . . . 71.41 112.849 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.43 51.28 0.47 Allowed Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.881 -0.676 . . . . 62.44 113.111 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -140.39 147.41 39.72 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 122.331 -0.511 . . . . 73.11 111.635 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.487 ' HB2' HD22 ' A' ' 28' ' ' LEU . 43.8 mt-30 -107.68 149.37 28.2 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.155 -0.475 . . . . 62.53 110.658 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -141.8 139.83 32.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.956 0.408 . . . . 73.34 111.697 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -82.87 115.96 21.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.207 -0.451 . . . . 72.42 111.261 176.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -95.97 129.11 43.33 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.343 0.592 . . . . 74.32 111.53 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.549 HD12 HD23 ' A' ' 49' ' ' LEU . 33.5 mt -90.58 109.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.599 -0.728 . . . . 72.21 111.353 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -82.18 92.63 6.92 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.167 0.508 . . . . 71.52 110.092 175.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' NH2' ' HB2' ' A' ' 88' ' ' GLU . 81.9 mtm180 -73.98 143.61 45.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.02 -0.536 . . . . 72.11 112.041 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.7 p -63.68 -13.76 45.83 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.237 0.542 . . . . 62.31 111.128 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.82 -27.54 51.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.565 -0.743 . . . . 62.5 111.562 172.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.84 22.76 11.63 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.311 -0.471 . . . . 74.25 112.138 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 m -151.18 136.45 17.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.626 0.371 . . . . 71.21 111.023 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -87.2 174.22 8.74 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 120.768 0.318 . . . . 73.35 111.802 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.655 ' HG2' ' HG2' ' A' ' 58' ' ' LYS . 8.6 tp10 -169.65 144.27 2.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.737 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -106.37 152.42 23.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.177 0.513 . . . . 75.32 111.968 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -137.34 123.83 20.84 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 73.35 110.785 174.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.1 m -80.38 86.19 5.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.109 0.481 . . . . 51.34 111.352 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -51.47 -36.02 42.47 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.793 0.664 . . . . 73.01 112.793 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -72.39 -25.17 61.4 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.725 0.639 . . . . 73.52 112.725 -177.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -87.91 -1.44 57.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.771 0.319 . . . . 72.11 111.463 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.43 79.41 2.12 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.02 0.438 . . . . 61.52 110.376 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.65 HG21 ' HE2' ' A' ' 17' ' ' LYS . 47.8 t -116.81 -69.86 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.052 -0.522 . . . . 64.14 111.213 -178.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 98' ' ' GLU . 4.3 tt -176.89 148.26 0.64 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.945 -0.57 . . . . 74.53 109.871 -175.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.638 ' N ' HD23 ' A' ' 97' ' ' LEU . 47.3 mt-10 -58.77 137.21 57.8 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.015 0.436 . . . . 72.01 111.835 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -100.22 98.26 8.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.453 0.644 . . . . 71.12 109.484 169.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -65.4 85.48 0.06 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.234 -0.893 . . . . 71.42 112.364 -169.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -84.5 -40.66 17.39 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.134 -0.484 . . . . 74.44 111.436 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -110.69 138.3 47.25 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.824 0.345 . . . . 74.15 111.473 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -72.03 171.65 11.5 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.45 -0.341 . . . . 72.23 111.228 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 118.37 -0.824 . . . . 74.43 110.932 173.519 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mmm . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 120.949 0.404 . . . . 54.31 110.803 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.14 93.54 0.09 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.732 0.642 . . . . 64.21 112.732 -173.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -134.52 -174.34 3.54 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.095 -0.502 . . . . 74.1 110.68 173.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.37 84.96 0.58 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.047 0.451 . . . . 73.3 111.255 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -106.75 141.98 24.01 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 116.466 -0.334 . . . . 71.13 111.605 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -65.62 160.59 42.54 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.756 2.304 . . . . 55.23 113.363 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -78.03 96.56 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.42 -0.354 . . . . 62.14 110.54 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 32.3 tt0 -83.21 120.09 25.37 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.037 0.446 . . . . 73.24 111.362 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.8 mt -129.35 109.73 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.066 -0.516 . . . . 71.33 110.273 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.87 34.44 24.35 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.279 0.562 . . . . 75.11 111.197 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.3 -26.63 16.5 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 116.016 -0.538 . . . . 38.72 112.97 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -74.81 98.15 3.44 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 74.52 111.119 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 8.0 pt-20 -95.74 103.29 15.16 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.262 0.553 . . . . 51.32 112.099 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -90.77 126.51 36.03 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.316 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.45 -17.89 64.29 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.01 0.433 . . . . 64.21 112.092 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.2 ptt85 -144.79 142.47 30.01 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.087 -0.506 . . . . 71.33 111.256 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HG3' HG21 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -61.46 -39.32 90.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.982 -177.239 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.58 68.37 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.131 0.419 . . . . 71.43 112.131 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 12.2 t70 -67.79 -40.71 83.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.19 0.519 . . . . 63.0 110.491 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.17 90.11 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.04 -0.527 . . . . 73.31 111.062 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.63 -48.04 82.67 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.908 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -57.82 -50.89 71.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.222 -0.444 . . . . 63.42 111.328 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -52.46 -55.36 22.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.923 0.392 . . . . 75.11 111.665 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.521 ' HA ' ' HE3' ' A' ' 27' ' ' MET . 77.7 mtm -65.12 -31.0 71.98 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.081 0.4 . . . . 73.4 112.081 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HD2' HD23 ' A' ' 28' ' ' LEU . 26.9 tptp -70.99 -39.48 72.41 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.218 -0.301 . . . . 74.05 111.453 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 22' ' ' ALA . 70.8 t -50.1 -60.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.611 0.243 . . . . 73.32 111.604 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.603 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 24.8 ptt? -60.7 -37.61 82.26 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.752 0.31 . . . . 75.13 110.878 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD23 ' HD2' ' A' ' 25' ' ' LYS . 28.1 tp -57.99 -32.26 67.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.356 -0.383 . . . . 74.11 111.591 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 25' ' ' LYS . 67.6 m-80 -66.87 -35.06 79.16 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 122.174 -0.328 . . . . 50.43 111.353 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -79.36 -29.9 42.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.914 0.388 . . . . 75.43 111.933 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -86.08 111.41 20.3 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.875 0.369 . . . . 73.31 110.658 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -75.14 163.98 64.37 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 122.347 -0.22 . . . . 70.3 111.005 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.33 76.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.301 2.001 . . . . 74.34 111.448 171.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.39 -11.78 0.26 Allowed Glycine 0 CA--C 1.528 0.897 0 CA-C-N 114.324 -1.307 . . . . 63.42 112.832 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.43 147.83 27.62 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.348 0.594 . . . . 73.31 112.439 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -92.61 136.91 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.615 -0.721 . . . . 61.3 110.318 171.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.22 142.23 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.44 -0.346 . . . . 75.41 111.127 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.9 p -63.77 171.05 2.93 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.295 0.569 . . . . 72.24 112.136 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.4 m -68.93 -37.33 78.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.055 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.6 t -65.22 -59.57 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.906 0.384 . . . . 65.55 111.175 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 48.2 m-20 -63.28 -36.85 85.03 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.203 0.525 . . . . 73.45 110.819 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -60.81 -41.5 99.18 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 116.069 -0.514 . . . . 63.1 112.907 176.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.86 80.19 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.137 0.494 . . . . 71.34 111.129 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.1 -49.13 78.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.877 -0.601 . . . . 72.25 110.709 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.26 -39.97 80.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.126 -0.488 . . . . 71.12 111.998 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' GLY . 95.4 t -57.16 -52.21 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 120.728 0.299 . . . . 73.11 111.141 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.97 -37.53 87.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 111.923 0.342 . . . . 64.32 111.923 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.72 -34.59 76.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.234 0.54 . . . . 72.1 111.066 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 80' ' ' ILE . 56.4 tp -74.18 -51.34 15.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.179 -0.464 . . . . 73.21 111.343 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -50.43 -31.8 16.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.367 0.877 . . . . 71.35 113.367 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -84.55 24.64 0.98 Allowed 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.992 -0.442 . . . . 72.32 112.096 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -107.21 149.46 38.71 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 122.826 0.45 . . . . 74.31 111.066 172.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.77 -25.6 28.38 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.256 1.971 . . . . 64.52 111.977 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.13 -1.49 57.93 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.0 -0.546 . . . . 75.0 111.894 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -50.02 -55.29 15.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.544 0.572 . . . . 75.21 112.544 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -47.7 -47.58 29.82 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.546 0.572 . . . . 65.34 112.546 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.0 m -70.56 -34.23 71.99 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.09 0.472 . . . . 72.34 111.301 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 12.4 tppt? -75.46 -28.95 59.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.93 -0.577 . . . . 72.13 111.293 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.437 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 79.5 mt -81.91 -41.33 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.487 -0.324 . . . . 74.43 111.409 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.39 19.69 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 114.065 0.386 . . . . 63.25 114.065 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 94.7 Cg_endo -75.05 -20.74 16.46 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.734 2.289 . . . . 71.02 114.056 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.58 161.77 10.17 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.727 -0.749 . . . . 38.72 113.502 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.576 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 53.1 t -84.64 112.77 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 120.939 0.399 . . . . 75.35 111.864 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HG2' ' ND2' ' A' ' 65' ' ' ASN . 76.7 ttt180 -91.86 -61.0 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.7 0.286 . . . . 54.34 110.933 177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.405 ' ND2' ' HG2' ' A' ' 64' ' ' ARG . 8.9 p30 -170.01 -175.3 1.99 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.006 0.432 . . . . 72.3 111.402 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.42 134.18 51.06 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.005 -0.543 . . . . 72.4 110.339 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -128.65 137.1 51.47 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.854 0.359 . . . . 61.45 111.138 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.42 136.48 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.589 0.588 . . . . 73.22 112.589 -176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 36.0 ttt180 -146.21 152.7 39.64 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.742 -0.663 . . . . 73.22 109.612 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.3 p -79.11 136.42 37.14 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.991 -0.443 . . . . 71.44 111.435 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.02 -72.13 0.72 Allowed 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 111.987 0.366 . . . . 70.32 111.987 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HB2' ' HG1' ' A' ' 75' ' ' THR . 22.3 m-20 -106.38 102.41 11.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.619 0.247 . . . . 75.34 111.603 -177.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 60.03 -81.9 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.02 0.528 . . . . 73.4 112.389 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.18 -9.94 6.43 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.475 -0.393 . . . . 38.72 113.162 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.404 ' HG1' ' HB2' ' A' ' 72' ' ' ASP . 63.1 p -73.29 127.26 32.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.391 0.615 . . . . 75.34 111.473 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.77 167.52 20.5 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.71 -0.677 . . . . 70.3 111.728 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.556 ' SG ' ' HD2' ' A' ' 89' ' ' ARG . 46.3 t -158.75 148.15 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.845 0.355 . . . . 73.32 111.37 175.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -83.38 118.31 23.62 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.391 -0.368 . . . . 73.43 111.365 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 15.7 m95 -93.88 134.66 36.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.249 0.547 . . . . 75.23 111.243 175.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.611 HD12 HD23 ' A' ' 49' ' ' LEU . 65.7 mt -92.47 109.66 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.783 -0.644 . . . . 74.33 112.23 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.12 127.21 34.15 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.336 0.589 . . . . 74.34 111.514 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.576 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 5.2 mmp_? -100.09 154.34 18.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.858 -0.61 . . . . 71.42 111.159 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p -54.55 -43.41 71.98 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.257 0.465 . . . . 73.25 112.257 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.525 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 0.7 OUTLIER -70.9 10.83 0.47 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.247 0.832 . . . . 75.04 113.247 178.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.1 51.45 10.2 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.987 -0.625 . . . . 42.52 113.3 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 t -128.32 138.11 52.24 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.225 -0.287 . . . . 72.12 110.225 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.505 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -127.92 121.33 29.67 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.54 0.686 . . . . 72.23 112.341 -177.015 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -145.09 141.15 28.56 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.11 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.556 ' HD2' ' SG ' ' A' ' 77' ' ' CYS . 50.4 ptt85 -97.38 -178.83 4.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.525 0.678 . . . . 75.32 112.106 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -138.75 121.36 16.27 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.417 -0.81 . . . . 74.34 110.191 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.0 m -68.56 75.25 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.353 0.597 . . . . 73.22 111.428 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -56.66 -24.5 49.02 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.69 -0.686 . . . . 75.02 112.392 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -78.47 -13.15 59.97 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.447 0.536 . . . . 72.42 112.447 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -104.26 -2.81 25.11 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.144 0.424 . . . . 74.34 112.144 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.62 74.58 3.21 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.799 0.333 . . . . 71.42 110.259 176.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.512 HG21 ' HG3' ' A' ' 17' ' ' LYS . 33.6 t -141.92 -87.77 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 120.993 0.425 . . . . 72.21 111.928 -174.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.656 HD11 ' N ' ' A' ' 98' ' ' GLU . 3.0 tm? 162.79 157.57 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.081 -1.452 . . . . 74.34 107.081 -169.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.656 ' N ' HD11 ' A' ' 97' ' ' LEU . 41.8 mt-10 -48.29 98.2 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.044 0.757 . . . . 72.31 113.044 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -124.75 25.51 7.43 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.592 -0.731 . . . . 71.53 110.307 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -74.97 74.16 2.18 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.578 0.704 . . . . 74.34 111.828 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -114.59 27.42 9.46 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.376 -0.829 . . . . 62.23 109.935 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -78.84 101.45 7.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.558 0.694 . . . . 73.13 112.344 -172.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -96.35 -177.45 3.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.513 -0.767 . . . . 75.04 109.867 171.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 61.3 m170 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 119.032 -0.509 . . . . 72.25 110.893 173.43 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HE2' ' HB2' ' A' ' 3' ' ' LYS . 4.6 ppp? . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.156 0.503 . . . . 75.21 111.66 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.75 126.39 34.96 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.154 0.502 . . . . 60.52 112.229 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.564 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 17.2 tppt? -158.48 109.45 2.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.164 -0.471 . . . . 73.34 111.045 178.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.31 112.16 7.53 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.872 0.368 . . . . 65.32 111.238 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.12 154.53 47.17 Favored Pre-proline 0 N--CA 1.471 0.576 0 CA-C-N 116.624 -0.262 . . . . 71.32 110.502 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.06 131.83 45.8 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 121.97 1.78 . . . . 72.25 111.696 175.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.532 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 3.0 mp -67.27 90.72 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.06 0.457 . . . . 64.32 110.49 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.7 tm-20 -102.37 110.11 21.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.555 . . . . 74.1 111.096 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.0 mt -125.22 121.61 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.767 -0.652 . . . . 71.14 111.004 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.9 26.68 15.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.339 0.496 . . . . 73.04 112.339 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.87 -0.22 69.49 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.294 -0.479 . . . . 51.13 113.28 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -103.52 103.43 13.39 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.623 -0.339 . . . . 75.21 110.501 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 11.3 pt-20 -89.33 141.12 28.82 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.248 0.547 . . . . 75.42 111.653 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 90.2 m-85 -126.27 123.15 37.47 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.017 -0.538 . . . . 74.01 111.112 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -23.19 66.85 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.263 0.468 . . . . 73.14 112.263 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -147.35 143.09 27.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.528 -0.306 . . . . 72.41 110.601 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HG3' HG12 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -58.35 -39.58 79.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.911 0.386 . . . . 73.2 111.342 -177.704 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.98 -23.49 61.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.162 0.43 . . . . 74.21 112.162 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.2 -35.89 48.02 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.066 0.46 . . . . 61.04 110.838 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 93.02 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.121 -0.49 . . . . 43.32 111.289 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 93' ' ' LYS . 70.7 mt -56.42 -42.6 78.32 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.26 -0.427 . . . . 75.21 111.131 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -57.66 -49.87 75.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.991 -0.549 . . . . 61.24 111.279 177.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.35 -48.47 74.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.931 0.396 . . . . 63.32 111.398 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.46 ' HA ' ' HE1' ' A' ' 27' ' ' MET . 66.0 mtt -58.0 -40.73 81.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.304 -0.407 . . . . 45.11 111.218 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -64.2 -45.94 86.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.839 0.352 . . . . 70.04 110.465 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' ALA . 94.1 t -55.67 -52.96 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 111.906 0.336 . . . . 71.12 111.906 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.46 ' HE1' ' HA ' ' A' ' 24' ' ' MET . 26.8 ptt? -68.09 -28.06 67.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.087 -0.383 . . . . 74.3 111.22 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 76' ' ' GLN . 47.8 tp -69.85 -18.42 63.43 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.098 0.475 . . . . 75.23 111.037 174.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.516 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -94.24 -29.8 14.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.037 0.446 . . . . 65.25 110.853 172.442 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -60.8 -38.87 86.85 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.312 0.577 . . . . 74.23 110.399 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.96 115.09 28.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 73.4 110.471 172.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' A' ' 34' ' ' GLY . 48.8 mtm180 -63.52 160.67 41.16 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.305 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HA ' HG13 ' A' ' 68' ' ' VAL . 37.5 Cg_endo -65.12 25.29 0.08 OUTLIER 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 122.778 2.319 . . . . 73.34 114.164 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -152.37 24.89 0.87 Allowed Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.689 -0.291 . . . . 63.33 112.616 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -118.05 161.77 19.28 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.353 0.597 . . . . 72.11 112.209 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -97.56 132.85 41.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.654 -0.703 . . . . 74.4 111.153 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 55.9 t -72.32 128.0 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 116.451 -0.341 . . . . 62.3 111.042 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.4 t -72.71 178.35 4.21 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.981 0.42 . . . . 64.52 112.043 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.5 m -60.08 -48.44 81.72 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.945 0.72 . . . . 64.2 112.945 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.25 -59.27 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.003 0.43 . . . . 74.52 111.954 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.48 -38.57 87.78 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.054 0.454 . . . . 73.42 111.002 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.448 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -62.34 -42.98 99.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.118 -0.492 . . . . 42.24 112.912 177.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.61 80.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.866 0.365 . . . . 75.13 111.287 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.26 -40.94 83.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.095 0.474 . . . . 65.21 110.494 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.85 -41.94 82.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.828 -0.624 . . . . 64.22 111.329 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG11 ' HE2' ' A' ' 50' ' ' LYS . 97.5 t -57.26 -47.7 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.928 0.394 . . . . 74.13 111.201 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.42 -43.7 89.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.108 0.48 . . . . 71.24 110.688 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.45 66.19 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.045 -0.525 . . . . 73.52 111.456 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.62 -48.15 12.11 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.277 -0.419 . . . . 63.43 111.091 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HE2' HG11 ' A' ' 46' ' ' VAL . 68.0 mttm -53.84 -28.26 34.67 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.155 0.798 . . . . 71.5 113.155 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.504 HH22 HD22 ' A' ' 97' ' ' LEU . 4.6 ptm180 -70.58 -14.33 62.45 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.092 0.405 . . . . 74.31 112.092 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.43 ' HA ' ' HG2' ' A' ' 98' ' ' GLU . 62.3 m-70 -91.5 148.33 37.23 Favored Pre-proline 0 N--CA 1.474 0.775 0 N-CA-C 111.826 0.306 . . . . 72.23 111.826 -177.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.67 -22.76 27.46 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.251 1.967 . . . . 70.44 112.554 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.85 7.64 42.96 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.246 -0.434 . . . . 65.53 111.711 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.47 -53.84 26.65 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.02 0.748 . . . . 54.3 113.02 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -51.21 -33.41 27.56 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.902 0.704 . . . . 75.54 112.902 -175.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.1 m -73.87 -36.18 64.8 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.039 0.447 . . . . 70.2 111.871 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -83.59 -18.03 39.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.808 0.337 . . . . 72.5 111.395 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -82.95 -41.61 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.08 0.467 . . . . 72.34 110.521 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.47 -134.9 41.94 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 116.041 -0.527 . . . . 75.12 112.966 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.73 2.1 8.79 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.645 2.23 . . . . 74.31 113.195 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.6 152.16 5.63 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 121.211 -0.518 . . . . 42.05 113.116 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -94.72 129.19 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.121 0.486 . . . . 73.32 111.318 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 44.3 ttm180 -91.24 -55.4 3.54 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.799 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.417 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.4 p-10 -168.01 -179.45 4.15 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.927 0.394 . . . . 75.3 111.053 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.3 m-85 -119.34 149.27 42.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.801 0.334 . . . . 74.44 110.842 176.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.68 146.48 50.86 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.868 0.366 . . . . 74.22 111.169 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 33' ' ' PRO . 98.5 t -102.45 125.54 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.001 0.429 . . . . 75.14 111.235 177.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -146.08 148.94 33.17 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.456 -0.338 . . . . 75.01 111.178 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 77.9 p -68.65 151.22 47.0 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.19 0.519 . . . . 72.55 112.317 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.18 -51.26 1.2 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.932 -0.576 . . . . 72.54 110.988 176.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' HB2' ' OG1' ' A' ' 75' ' ' THR . 24.0 m-20 -106.71 -164.27 0.98 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.874 175.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -51.86 -66.88 0.31 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.22 0.452 . . . . 75.42 112.22 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.14 28.06 5.69 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.939 -0.648 . . . . 53.42 113.817 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 72' ' ' ASP . 78.3 p -129.24 128.77 43.96 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.099 0.476 . . . . 62.31 111.702 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.524 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -91.99 -176.38 4.39 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.169 0.509 . . . . 74.01 111.362 178.463 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.2 m -142.56 154.26 44.29 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.986 -0.552 . . . . 60.42 110.435 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -89.62 117.43 28.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.039 0.447 . . . . 74.23 111.363 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -94.79 128.47 41.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.884 -0.598 . . . . 73.21 111.749 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.0 mt -89.99 109.98 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.901 0.381 . . . . 72.02 111.53 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.7 mm? -83.95 96.41 8.83 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.859 0.361 . . . . 60.23 110.428 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -79.34 148.4 32.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.585 -0.28 . . . . 74.31 111.407 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -58.4 -25.77 62.49 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.002 0.43 . . . . 74.4 111.254 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.02 -39.11 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.758 -0.655 . . . . 64.32 111.536 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.11 -30.84 6.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.932 -0.576 . . . . 37.32 112.518 -175.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.6 m -78.44 107.0 10.76 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 122.653 -0.322 . . . . 72.45 111.388 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.554 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.65 138.07 36.38 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.066 0.46 . . . . 73.24 111.671 178.386 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -136.95 131.63 33.28 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.904 0.383 . . . . 73.01 110.871 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -97.89 157.25 16.2 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.179 0.437 . . . . 71.23 112.179 -175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -132.89 141.5 48.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.961 0.41 . . . . 72.13 111.021 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.71 -16.01 55.38 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.341 0.867 . . . . 73.44 113.341 -173.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 p90 57.77 -61.11 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.91 1.284 . . . . 71.22 113.944 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HA ' HD22 ' A' ' 21' ' ' LEU . 22.1 ptmt -49.27 -32.71 11.36 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.76 0.652 . . . . 72.54 112.76 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.659 ' HZ2' ' HB3' ' A' ' 94' ' ' LYS . 8.4 mtpm? -81.3 76.63 8.23 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.01 0.433 . . . . 65.1 111.15 178.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 16.5 p -166.11 133.83 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.298 0.57 . . . . 52.41 110.865 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG12 ' HG3' ' A' ' 17' ' ' LYS . 56.5 t -138.25 -67.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.893 0.854 . . . . 64.4 109.081 175.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 HD22 HH22 ' A' ' 51' ' ' ARG . 41.1 mt -150.76 140.29 21.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.878 -1.056 . . . . 65.41 110.051 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.43 ' HG2' ' HA ' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -80.17 -4.97 55.2 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.348 0.594 . . . . 64.35 111.264 178.353 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -115.45 46.29 1.51 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.661 0.743 . . . . 74.44 109.094 166.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 97' ' ' LEU . 47.0 t-80 -66.95 91.07 0.19 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.205 -0.907 . . . . 64.43 113.084 -172.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -165.04 130.48 2.65 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.002 0.43 . . . . 71.32 111.286 172.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -149.61 110.42 4.3 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.089 0.471 . . . . 65.13 111.147 178.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -90.41 136.54 32.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.146 -0.479 . . . . 64.32 111.654 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.056 -0.973 . . . . 75.41 111.534 173.552 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 112.167 0.432 . . . . 75.12 112.167 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.2 176.48 9.72 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.156 0.503 . . . . 74.01 112.224 -177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -86.17 -14.11 45.04 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.997 0.427 . . . . 61.13 110.95 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.66 84.23 0.19 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.064 0.459 . . . . 74.03 111.84 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.07 132.42 45.63 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.137 -0.483 . . . . 65.53 111.248 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -64.58 165.02 21.7 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.445 2.097 . . . . 74.51 112.437 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.1 mp -78.07 96.29 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.892 0.377 . . . . 74.12 110.686 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -92.8 120.45 33.18 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.82 0.343 . . . . 75.42 111.47 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -132.93 115.02 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.556 -0.293 . . . . 65.13 110.993 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.44 31.38 20.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.526 0.565 . . . . 70.05 112.526 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.81 8.09 80.23 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.041 -0.6 . . . . 51.23 113.063 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -107.16 106.15 16.49 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.935 -0.394 . . . . 71.34 109.935 175.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -89.69 114.41 26.06 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.409 0.623 . . . . 54.43 111.414 -179.051 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -96.45 131.71 42.75 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.29 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.6 57.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.02 0.748 . . . . 73.24 113.02 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HG2' ' HB2' ' A' ' 19' ' ' ASP . 23.2 ptt-85 -165.27 160.39 18.3 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.371 0.268 . . . . 72.53 110.448 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.6 tmtt? -59.15 -42.05 89.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.782 0.325 . . . . 65.45 110.852 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -24.95 67.49 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.228 -0.442 . . . . 65.31 111.77 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 38.4 t0 -71.21 -43.21 67.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.202 0.525 . . . . 73.22 109.976 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.041 -0.527 . . . . 63.12 111.042 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 78.7 mt -64.0 -39.47 94.19 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.128 -0.487 . . . . 73.45 110.993 177.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -60.17 -45.34 93.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.877 0.37 . . . . 75.52 111.299 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' O ' ' HG2' ' A' ' 27' ' ' MET . 71.9 t80 -58.38 -59.99 4.49 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.321 -0.4 . . . . 70.35 111.093 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtm -56.17 -29.18 60.48 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.114 0.413 . . . . 71.45 112.114 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -47.44 73.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.377 -0.202 . . . . 62.23 111.255 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 22' ' ' ALA . 88.9 t -56.52 -55.03 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.003 0.43 . . . . 65.42 111.384 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 13.5 ptm -60.93 -37.21 81.53 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.222 -0.445 . . . . 73.3 111.717 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.0 -40.19 94.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.97 0.415 . . . . 72.01 111.48 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.85 -31.28 71.79 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.867 0.365 . . . . 74.43 111.399 179.436 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.35 -33.62 75.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.028 -0.533 . . . . 74.41 112.128 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.441 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 79.9 m-85 -100.47 141.58 33.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.322 0.582 . . . . 75.33 112.327 -177.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -86.26 166.49 28.12 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.724 -0.671 . . . . 73.04 110.505 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 25.0 Cg_exo -62.24 72.76 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.516 2.144 . . . . 62.21 112.366 173.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.1 -15.24 0.23 Allowed Glycine 0 CA--C 1.529 0.922 0 CA-C-N 115.369 -0.832 . . . . 65.33 113.351 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 54.6 m-20 -79.12 144.11 34.85 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.49 0.662 . . . . 71.2 112.006 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -89.13 138.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.64 -0.709 . . . . 75.3 111.054 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.21 142.65 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.673 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -76.57 177.05 7.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.228 0.537 . . . . 72.21 112.099 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.9 m -65.7 -28.8 69.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.132 -0.486 . . . . 71.14 111.35 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -73.34 -68.5 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.383 -0.371 . . . . 64.42 111.374 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -28.71 65.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.769 0.318 . . . . 64.31 111.481 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -55.96 -47.23 81.28 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 121.151 -0.547 . . . . 54.5 112.785 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.73 98.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.992 0.425 . . . . 64.14 111.124 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -54.72 -49.1 71.58 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.854 -0.612 . . . . 72.41 111.03 175.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.5 mt -61.52 -39.12 89.86 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.128 -0.487 . . . . 72.32 111.991 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 42' ' ' GLY . 84.9 t -60.22 -47.14 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.719 0.295 . . . . 60.52 111.364 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.7 -45.1 91.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.874 0.369 . . . . 72.21 111.258 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.95 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.184 0.516 . . . . 73.41 111.025 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.42 -60.84 2.38 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.519 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -51.57 -32.64 29.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.112 1.153 . . . . 73.55 114.112 -172.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.28 15.45 0.33 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.886 -0.509 . . . . 71.31 112.325 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -112.9 137.95 22.02 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 122.662 0.385 . . . . 74.43 110.358 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.75 -34.51 98.31 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.656 2.237 . . . . 74.31 113.228 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.19 -5.94 59.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.413 0.523 . . . . 55.44 112.413 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -53.62 -45.28 70.06 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.76 0.652 . . . . 61.31 112.76 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -50.61 -35.67 31.42 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.651 0.611 . . . . 73.35 112.651 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -63.89 -22.04 66.73 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.973 0.416 . . . . 71.45 111.802 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 41.3 mttm -113.55 15.07 19.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.369 0.604 . . . . 64.44 111.329 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.467 ' HA ' HH11 ' A' ' 82' ' ' ARG . 74.9 mt -104.75 -50.05 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.144 -0.48 . . . . 61.03 110.007 171.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.99 -111.51 3.63 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 116.076 -0.511 . . . . 72.44 113.725 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.84 -31.87 6.13 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.491 2.127 . . . . 51.23 112.987 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.98 165.97 14.73 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.655 -0.783 . . . . 71.51 114.129 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.524 HG12 ' NH2' ' A' ' 82' ' ' ARG . 68.6 t -87.78 120.65 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 122.634 0.373 . . . . 73.23 111.307 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -90.38 -46.87 8.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.01 0.433 . . . . 71.03 110.662 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 6.5 p30 -174.58 -169.7 0.45 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.958 -0.564 . . . . 72.11 110.849 175.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.25 139.98 47.24 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.511 0.324 . . . . 75.31 110.66 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -117.46 151.66 36.62 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.981 0.42 . . . . 73.43 110.996 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 31' ' ' TYR . 83.3 t -103.47 116.51 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.429 -0.35 . . . . 74.3 110.722 176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.622 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -132.61 153.55 50.93 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 122.383 -0.198 . . . . 62.24 111.512 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.4 m -50.84 149.63 3.35 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.541 1.311 . . . . 70.24 114.541 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.644 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -130.34 162.19 29.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.345 -0.843 . . . . 74.21 111.136 174.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -73.58 -6.62 47.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.9 0.704 . . . . 74.15 112.9 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -98.18 24.31 7.29 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.084 -0.385 . . . . 74.11 111.81 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.05 -40.16 2.65 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 120.993 -0.622 . . . . 74.34 112.755 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.4 p -79.73 -172.55 3.38 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.147 0.498 . . . . 72.31 111.279 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.99 -173.33 2.27 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.921 0.391 . . . . 65.21 110.815 176.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.644 ' SG ' ' HB1' ' A' ' 71' ' ' ALA . 96.7 m -137.27 153.69 50.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.345 -0.389 . . . . 64.22 110.645 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.02 117.7 24.15 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.099 0.476 . . . . 74.21 110.598 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.622 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 29.9 m95 -95.61 137.05 35.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.886 0.85 . . . . 73.21 112.652 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.4 mt -81.82 91.02 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.594 -1.185 . . . . 70.42 111.889 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 87' ' ' GLU . 4.4 mm? -81.66 117.04 21.69 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.158 0.504 . . . . 75.22 110.885 175.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.524 ' NH2' HG12 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -102.36 149.98 23.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.967 0.413 . . . . 71.01 111.968 -178.564 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.2 p -60.83 -19.52 59.96 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.178 0.514 . . . . 74.41 110.874 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.74 -50.55 60.37 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.602 -0.726 . . . . 75.03 111.427 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.6 -32.92 2.41 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.028 -0.533 . . . . 75.05 112.58 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.9 p -86.17 169.63 12.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.037 0.446 . . . . 75.22 111.495 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.528 ' HB3' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -133.73 137.94 45.52 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.281 0.562 . . . . 75.24 112.002 177.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.19 -171.74 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.379 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -141.94 139.11 32.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.076 -0.39 . . . . 73.32 111.561 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -131.7 128.76 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.335 0.588 . . . . 74.1 110.763 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.5 p -94.29 105.55 17.54 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.404 0.621 . . . . 73.1 111.084 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -54.55 -23.34 16.21 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.289 0.848 . . . . 75.33 113.289 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -78.92 -24.1 44.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.859 0.361 . . . . 73.31 111.517 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 94' ' ' LYS . 7.7 mmmm -81.63 -23.39 37.03 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.159 0.504 . . . . 74.42 111.408 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 85.7 m -81.12 61.44 4.67 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.581 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.436 HG13 ' HG3' ' A' ' 17' ' ' LYS . 39.3 t -128.63 -78.3 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 121.264 0.554 . . . . 75.31 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -157.87 -62.21 0.09 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.778 -0.646 . . . . 72.21 109.864 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.38 127.93 35.2 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.952 0.406 . . . . 63.14 111.494 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -79.36 45.01 0.63 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.523 0.678 . . . . 71.24 110.899 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -90.49 134.55 34.28 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.267 -0.879 . . . . 73.42 112.259 -168.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -79.3 -66.83 0.82 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.376 0.607 . . . . 73.25 111.198 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -76.16 73.48 3.0 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.581 -0.736 . . . . 72.23 110.724 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -82.51 -13.8 56.05 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.968 0.414 . . . . 74.53 111.815 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.739 -0.648 . . . . 62.15 110.901 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.784 0.326 . . . . 75.42 111.109 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.93 120.83 29.65 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.842 0.353 . . . . 75.34 111.548 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -92.82 11.57 26.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.899 0.38 . . . . 64.13 111.435 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.9 76.69 1.05 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.354 0.597 . . . . 75.01 110.265 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -88.78 153.92 50.06 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 116.081 -0.509 . . . . 71.11 111.908 -173.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.73 175.98 3.24 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.786 2.324 . . . . 63.12 113.45 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.0 mp -93.08 102.5 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.237 -0.438 . . . . 73.24 111.341 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.99 111.74 22.7 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.042 0.449 . . . . 74.01 110.07 177.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.39 116.06 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 116.144 -0.48 . . . . 73.22 111.929 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.46 25.83 13.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.384 0.883 . . . . 42.01 113.384 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.08 -2.56 35.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.121 -0.561 . . . . 62.32 113.255 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -111.07 111.94 23.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.055 0.455 . . . . 60.42 111.186 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -92.42 133.13 36.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.01 -0.541 . . . . 55.12 111.471 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 73.2 m-85 -129.79 129.93 44.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.069 -0.514 . . . . 75.03 111.075 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.69 -37.22 76.53 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.146 0.425 . . . . 74.4 112.146 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.99 173.68 8.98 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.199 0.523 . . . . 70.21 111.635 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -43.23 65.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.184 -0.462 . . . . 54.2 111.22 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.15 -28.37 52.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.022 -0.536 . . . . 65.15 112.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 98.3 m-20 -61.45 -57.72 11.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.271 -0.422 . . . . 64.34 111.759 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.61 81.98 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.089 0.471 . . . . 37.51 111.345 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 93' ' ' LYS . 80.6 mt -61.19 -42.71 99.06 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.016 -0.538 . . . . 71.13 111.19 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.345 -0.389 . . . . 51.1 111.295 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.09 -51.27 64.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.035 0.445 . . . . 72.05 111.275 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.509 ' HA ' ' HE1' ' A' ' 27' ' ' MET . 76.7 mtm -65.49 -39.69 92.2 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.558 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -62.03 -37.02 83.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.923 0.342 . . . . 71.44 111.923 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 22' ' ' ALA . 89.2 t -61.38 -60.41 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.715 0.293 . . . . 63.15 111.311 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.509 ' HE1' ' HA ' ' A' ' 24' ' ' MET . 26.9 ptt? -62.33 -32.6 73.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.738 0.304 . . . . 72.11 111.347 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.77 -46.41 81.49 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.072 0.463 . . . . 75.3 110.99 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -80.77 -3.2 50.07 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.824 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.6 tmt_? -83.68 -44.09 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.735 -0.468 . . . . 74.35 109.735 174.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HB2' HG21 ' A' ' 68' ' ' VAL . 94.1 m-85 -80.77 144.48 32.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.012 0.434 . . . . 75.13 110.889 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 47.0 mtm180 -96.89 163.47 20.08 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.66 -0.245 . . . . 74.32 110.666 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 45.3 Cg_exo -56.69 76.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.636 2.224 . . . . 64.24 113.083 177.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 155.08 -21.0 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 CA-C-N 115.274 -0.875 . . . . 61.01 113.81 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.05 142.96 41.65 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.228 0.537 . . . . 37.51 111.936 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -90.5 132.83 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.979 -0.555 . . . . 75.11 111.344 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.18 140.04 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 73.11 111.587 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -66.39 169.36 7.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.068 0.461 . . . . 73.02 112.1 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -64.87 -51.04 64.17 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.192 -0.458 . . . . 75.32 112.194 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.55 -49.81 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 121.091 0.472 . . . . 73.12 111.137 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.54 -45.63 69.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.966 -0.561 . . . . 72.41 111.128 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -63.89 -42.19 98.48 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 115.986 -0.552 . . . . 73.22 113.048 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.75 74.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.05 0.453 . . . . 71.13 111.117 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.04 -45.97 91.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.294 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.1 -38.24 88.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.941 -0.572 . . . . 72.5 111.862 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 42' ' ' GLY . 89.7 t -62.06 -51.19 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 120.732 0.301 . . . . 70.43 111.189 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.27 -38.51 89.59 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.879 0.371 . . . . 55.3 111.099 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.45 80.81 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.171 0.51 . . . . 75.35 111.144 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.99 -42.96 75.82 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.035 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -55.1 -29.7 58.17 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.118 0.784 . . . . 62.02 113.118 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -86.89 22.13 2.08 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.891 -0.505 . . . . 74.41 111.725 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -116.54 143.63 31.63 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 122.676 0.39 . . . . 62.4 110.163 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.56 -47.18 26.95 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.536 2.157 . . . . 73.13 113.583 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.46 15.87 3.45 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.427 0.528 . . . . 63.03 112.427 -176.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.8 -65.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.242 0.46 . . . . 72.41 112.242 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -52.19 -36.68 52.56 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.269 0.47 . . . . 55.51 112.269 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.5 m -65.57 -29.69 70.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.791 0.329 . . . . 53.12 111.652 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' HD2' ' HG2' ' A' ' 88' ' ' GLU . 72.4 mmtt -99.47 -12.7 19.97 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.158 0.429 . . . . 73.21 112.158 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.9 mt -86.23 -45.99 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.991 0.424 . . . . 72.22 110.782 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.29 -114.8 6.83 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 116.14 -0.482 . . . . 61.15 113.071 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -76.46 -22.59 12.22 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.589 2.193 . . . . 73.25 112.92 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.83 159.72 8.97 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.279 -0.486 . . . . 61.15 113.245 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 126.89 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.972 0.415 . . . . 73.05 111.271 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.14 -53.67 5.36 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.007 0.432 . . . . 54.44 109.967 178.279 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -167.82 -173.31 2.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.992 0.425 . . . . 75.52 111.08 174.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -123.52 143.76 49.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.495 -0.32 . . . . 75.14 110.987 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -121.83 135.64 54.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.728 0.299 . . . . 71.33 110.621 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.514 HG21 ' HB2' ' A' ' 31' ' ' TYR . 86.9 t -91.94 121.54 42.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 64.45 111.947 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 87.3 mtt180 -137.04 -167.72 2.14 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.599 . . . . 74.22 110.625 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t -82.66 171.56 13.89 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.028 0.442 . . . . 73.31 111.531 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . . . -129.48 -68.03 0.74 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.178 -0.464 . . . . 44.24 111.208 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -107.16 -72.49 0.72 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.957 0.408 . . . . 74.01 111.287 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -134.67 -71.13 0.49 Allowed 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.125 0.488 . . . . 73.3 110.528 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.36 -9.04 45.45 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-N 115.96 -0.564 . . . . 51.15 112.056 175.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.7 p -76.87 128.73 35.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.84 0.352 . . . . 73.42 111.245 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -94.99 161.5 14.11 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.009 0.433 . . . . 73.11 111.502 177.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 43.0 t -144.18 149.42 36.42 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.048 0.452 . . . . 74.05 111.705 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -85.81 126.99 34.44 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.662 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.445 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 38.6 m95 -101.82 125.1 48.42 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.961 0.41 . . . . 62.44 111.127 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.46 105.8 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.167 -0.47 . . . . 72.45 111.533 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -85.96 101.07 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.143 0.497 . . . . 72.3 110.063 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 39.5 mtm180 -80.15 152.66 29.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 74.54 111.734 -176.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.1 p -61.04 -19.82 61.83 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.382 0.61 . . . . 73.41 110.85 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.21 -35.91 62.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.207 -0.906 . . . . 73.14 111.788 172.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.84 -24.03 10.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 62.31 112.794 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -92.71 163.36 13.78 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.415 0.626 . . . . 63.22 111.981 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.514 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.9 pt-20 -118.18 158.63 24.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.905 -0.588 . . . . 74.41 112.298 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.54 ' HG2' ' HD2' ' A' ' 58' ' ' LYS . 9.0 tp10 -139.9 162.96 33.93 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.019 -0.537 . . . . 72.54 110.711 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -130.8 130.69 44.0 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.755 0.312 . . . . 74.24 111.747 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -130.39 126.38 36.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.181 0.515 . . . . 75.12 111.713 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.526 ' HG ' ' HG3' ' A' ' 94' ' ' LYS . 43.7 t -74.41 92.07 2.29 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.95 0.405 . . . . 63.51 111.292 177.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -45.34 -40.57 7.99 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.838 1.051 . . . . 71.54 113.838 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.492 ' HA ' HD22 ' A' ' 21' ' ' LEU . 62.9 pttt -78.46 -16.69 57.28 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.572 0.953 . . . . 75.24 113.572 -172.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.526 ' HG3' ' HG ' ' A' ' 91' ' ' SER . 98.1 mttt -87.05 67.82 9.85 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.281 0.562 . . . . 74.44 111.343 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 29.5 p -164.32 29.0 0.07 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.815 -0.629 . . . . 73.11 111.336 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.8 t -83.01 -38.78 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 121.698 0.761 . . . . 75.31 110.253 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tt -137.95 -67.53 0.48 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.053 -0.976 . . . . 73.13 108.803 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -144.65 171.37 14.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.846 -0.616 . . . . 75.32 111.163 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -56.15 139.48 47.29 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.177 -0.465 . . . . 73.12 111.879 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -136.71 136.0 38.63 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.824 0.345 . . . . 73.03 110.904 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -81.95 168.18 18.15 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.321 0.581 . . . . 73.41 112.321 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -92.57 147.79 22.6 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.89 -0.596 . . . . 73.4 111.503 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -123.96 127.35 47.81 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.903 0.382 . . . . 74.45 111.412 176.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--O 1.252 1.218 0 CA-C-O 118.501 -0.762 . . . . 75.34 111.301 179.295 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtm . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.628 0.251 . . . . 65.12 111.169 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.56 99.19 1.24 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.054 0.454 . . . . 74.43 111.159 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -138.9 169.49 17.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.071 0.463 . . . . 71.45 111.518 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.06 68.89 7.52 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.24 0.543 . . . . 64.13 110.082 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -83.37 145.86 49.38 Favored Pre-proline 0 N--CA 1.469 0.494 0 CA-C-N 115.826 -0.625 . . . . 72.04 112.471 -173.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.96 133.39 19.77 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.778 2.318 . . . . 72.5 111.554 172.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mp -70.84 91.53 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.064 0.459 . . . . 72.1 110.917 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -95.9 113.5 25.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.792 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -129.67 120.4 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.528 -0.306 . . . . 63.32 111.446 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.6 31.28 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.838 0.681 . . . . 54.22 112.838 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.95 27.18 29.46 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.15 -0.548 . . . . 75.03 113.084 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -132.76 114.07 13.69 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.591 -0.359 . . . . 72.43 110.328 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.58 124.28 41.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.246 0.546 . . . . 50.4 111.855 -176.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 96.7 m-85 -115.97 149.63 38.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.97 0.414 . . . . 74.45 111.714 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.13 -25.12 37.16 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.672 0.619 . . . . 75.52 112.672 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 10.1 tpp180 -145.18 153.41 41.34 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.692 -0.231 . . . . 72.33 110.798 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' A' ' 95' ' ' CYS . 22.0 tptm -56.78 -44.92 82.32 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.876 -0.515 . . . . 74.52 111.058 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -23.37 67.3 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.301 -0.409 . . . . 65.35 111.944 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 25.8 t0 -69.1 -42.89 75.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.104 0.478 . . . . 73.45 110.541 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.89 95.4 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.147 0.499 . . . . 73.15 111.064 174.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 84.6 mt -60.8 -41.97 96.67 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.969 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -59.14 -47.01 86.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.222 -0.445 . . . . 65.01 111.44 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -55.7 -49.76 72.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.875 0.369 . . . . 73.43 111.195 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.483 ' HG2' ' HE2' ' A' ' 27' ' ' MET . 75.8 mtm -60.37 -37.87 82.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.442 -0.344 . . . . 73.21 111.39 177.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.38 -38.67 91.83 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.803 0.335 . . . . 75.12 111.241 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.517 HG21 ' O ' ' A' ' 22' ' ' ALA . 80.3 t -57.9 -59.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.451 -0.34 . . . . 70.34 111.198 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.483 ' HE2' ' HG2' ' A' ' 24' ' ' MET . 27.0 ptt? -63.84 -31.15 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.857 -0.337 . . . . 65.21 111.24 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.36 -44.34 84.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.105 0.479 . . . . 72.41 110.815 174.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.529 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -77.66 -16.6 58.41 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.131 -0.486 . . . . 75.32 111.508 177.667 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -70.15 -43.43 70.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.458 -0.337 . . . . 61.32 110.207 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 81.6 m-85 -89.03 157.97 18.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.963 0.411 . . . . 75.03 111.064 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.568 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 7.3 mpt_? -97.6 158.37 33.16 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-N 116.659 -0.246 . . . . 74.21 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.39 79.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.741 2.294 . . . . 65.24 112.659 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.09 -8.32 0.92 Allowed Glycine 0 CA--C 1.529 0.957 0 CA-C-N 114.472 -1.24 . . . . 74.0 113.062 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.58 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 18.4 m-20 -82.16 139.82 34.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.386 0.613 . . . . 73.54 111.87 -178.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -80.36 131.46 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.063 -0.517 . . . . 72.01 110.972 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.42 128.39 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 120.749 0.309 . . . . 72.32 110.957 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -63.53 169.78 3.62 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.59 0.589 . . . . 73.14 112.59 -175.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.0 m -53.99 -61.39 2.34 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.841 0.682 . . . . 63.25 112.841 -175.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.09 -49.4 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.027 0.442 . . . . 72.4 111.533 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.89 -44.91 70.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.87 -0.605 . . . . 74.41 111.343 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -67.22 -44.71 85.52 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.9 -0.591 . . . . 75.42 112.881 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.26 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.112 0.482 . . . . 54.14 111.267 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.32 -51.16 70.71 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.586 -0.734 . . . . 74.33 110.955 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.06 -36.99 78.54 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.009 -0.542 . . . . 63.31 112.062 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 42' ' ' GLY . 66.3 t -58.97 -50.69 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.856 0.36 . . . . 72.32 111.391 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.45 -39.97 92.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.953 0.406 . . . . 74.23 110.989 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.7 74.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.24 -0.436 . . . . 63.11 111.216 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.27 -44.51 71.75 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.15 -0.477 . . . . 70.52 111.25 177.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' HG11 ' A' ' 46' ' ' VAL . 98.9 mttt -57.41 -24.01 52.88 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.219 0.452 . . . . 72.31 112.219 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -95.15 23.89 5.37 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.262 0.467 . . . . 74.43 112.262 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -100.14 149.82 36.35 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-N 116.59 -0.277 . . . . 73.32 110.959 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.87 -48.7 19.83 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.629 2.22 . . . . 53.35 112.6 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -104.33 66.67 0.82 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.361 0.601 . . . . 63.51 110.817 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.43 -37.08 25.97 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.953 175.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.1 t -50.64 -47.08 58.59 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.897 0.703 . . . . 75.0 112.897 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -22.16 44.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.989 0.366 . . . . 62.21 111.989 -175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -86.36 -23.53 26.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.835 0.35 . . . . 75.42 111.34 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -98.6 -69.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.904 0.383 . . . . 73.03 111.278 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.49 -114.69 4.53 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 121.255 -0.497 . . . . 73.33 112.638 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.547 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 49.1 Cg_endo -68.44 -35.71 17.25 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.445 2.097 . . . . 75.23 113.079 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.68 165.73 18.05 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.124 -0.56 . . . . 70.24 113.086 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 129.56 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 122.526 -0.396 . . . . 63.31 111.308 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -83.47 -52.21 6.7 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.356 -0.384 . . . . 72.31 110.09 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -175.13 178.3 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.918 0.389 . . . . 73.41 110.957 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.77 143.61 46.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.858 0.361 . . . . 72.15 110.718 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -127.81 127.68 43.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.822 0.344 . . . . 71.33 111.28 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 31' ' ' TYR . 88.0 t -76.3 102.31 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.298 0.57 . . . . 73.55 109.74 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.665 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 33.3 ttt180 -136.76 156.55 48.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.878 -0.601 . . . . 62.23 111.347 -167.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -63.1 157.44 22.22 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.857 0.688 . . . . 72.22 112.857 -174.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.4 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . . . -135.12 -56.72 0.81 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.795 -0.639 . . . . 64.22 111.245 177.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -117.72 -167.82 1.4 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.173 -0.467 . . . . 51.21 110.742 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -64.86 88.29 0.06 Allowed 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.065 0.46 . . . . 74.23 111.187 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.66 32.19 34.3 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.275 -0.488 . . . . 72.14 113.781 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.0 p -122.41 146.59 47.21 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 117.404 0.602 . . . . 39.61 111.679 178.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -103.89 148.91 25.6 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.049 -0.523 . . . . 73.53 111.705 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -148.55 159.27 44.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.937 0.399 . . . . 74.3 111.162 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -87.36 115.3 24.68 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.916 0.389 . . . . 72.33 111.17 176.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.665 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 25.5 m95 -95.43 132.47 40.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.016 0.436 . . . . 74.23 111.49 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.08 112.08 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 116.042 -0.527 . . . . 71.3 111.403 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 81' ' ' LEU . 3.2 mm? -88.19 124.38 33.77 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.58 -0.526 . . . . 75.14 109.58 172.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -106.42 146.09 30.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.056 0.455 . . . . 74.4 112.099 -174.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -66.21 -19.69 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.361 0.504 . . . . 74.44 112.361 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.547 ' HB3' ' HG3' ' A' ' 61' ' ' PRO . 3.1 p30 -75.72 -25.27 56.48 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.272 -0.268 . . . . 73.51 111.706 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.34 -9.19 8.33 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 121.062 -0.589 . . . . 64.54 113.959 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 m -89.55 152.57 21.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 117.367 0.584 . . . . 65.23 111.862 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.12 141.29 40.18 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.022 0.439 . . . . 74.42 111.545 175.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -145.61 -178.41 6.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.018 0.437 . . . . 73.43 111.216 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.4 ' NH1' ' HA ' ' A' ' 71' ' ' ALA . 20.9 ptt180 -129.4 133.41 47.35 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.318 -0.401 . . . . 75.1 110.686 173.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -107.42 125.07 50.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.174 0.511 . . . . 74.41 111.73 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.8 m -74.37 76.7 1.88 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.071 0.462 . . . . 72.13 111.38 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -55.16 -36.38 65.77 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.046 0.45 . . . . 75.2 111.949 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -65.92 -12.44 54.7 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.693 0.627 . . . . 73.1 112.693 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -109.71 22.47 15.65 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.393 0.616 . . . . 74.15 111.336 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.517 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 52.5 t -106.7 44.53 1.05 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.017 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.58 -90.28 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 O-C-N 121.954 -0.466 . . . . 61.44 112.229 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.7 mt -155.49 156.18 34.77 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.822 0.344 . . . . 74.22 111.883 -174.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -89.71 138.38 31.53 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.929 0.395 . . . . 73.52 111.196 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -168.62 134.78 1.83 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.245 -0.434 . . . . 70.14 110.736 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -60.35 110.04 1.15 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.014 0.435 . . . . 71.31 111.436 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -54.99 161.04 1.78 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.795 0.665 . . . . 73.31 112.795 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -52.49 153.67 2.91 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.775 -0.648 . . . . 74.03 111.806 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -68.06 168.8 11.29 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.788 -0.187 . . . . 73.4 110.505 172.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.0 m170 . . . . . 0 C--O 1.254 1.336 0 N-CA-C 113.036 0.754 . . . . 73.31 113.036 -173.598 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.585 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 120.64 0.257 . . . . 64.24 111.467 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.74 -24.66 35.95 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.306 0.574 . . . . 72.53 110.896 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -95.85 178.37 5.46 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.975 -0.557 . . . . 71.24 111.073 175.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.02 136.2 38.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 120.808 0.337 . . . . 62.12 111.027 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.39 155.92 92.22 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 111.864 0.32 . . . . 70.55 111.864 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -53.02 146.49 37.32 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.671 2.247 . . . . 65.01 112.254 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.503 HD11 ' N ' ' A' ' 7' ' ' ILE . 2.4 mp -71.99 93.63 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 120.986 0.422 . . . . 74.42 110.826 -175.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -105.76 109.13 20.98 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.002 0.429 . . . . 64.43 110.656 179.32 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.11 116.76 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 111.991 0.367 . . . . 74.51 111.991 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.06 23.2 12.44 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.054 0.761 . . . . 53.24 113.054 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.49 27.88 9.49 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.228 -0.511 . . . . 74.25 112.501 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 82.6 m-70 -137.64 106.04 5.8 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.418 0.287 . . . . 72.05 110.851 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.0 134.12 34.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.092 0.472 . . . . 72.41 111.772 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.485 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 94.4 m-85 -124.99 143.03 51.11 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.006 0.431 . . . . 72.3 111.365 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -40.13 72.18 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.579 0.585 . . . . 74.31 112.579 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.17 166.46 23.34 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.115 -0.366 . . . . 74.33 111.323 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HG2' HG12 ' A' ' 96' ' ' VAL . 43.4 tptt -59.15 -46.46 88.31 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.996 0.427 . . . . 72.12 111.681 -175.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.2 -19.52 65.4 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.307 -0.406 . . . . 75.41 111.84 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 44.8 t0 -66.32 -41.4 89.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.206 0.527 . . . . 72.14 110.613 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.75 60.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.927 -0.579 . . . . 71.34 111.42 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.29 -36.15 81.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.373 -0.376 . . . . 62.1 111.358 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -58.2 -51.96 67.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.399 -0.364 . . . . 53.45 110.425 173.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -50.37 -47.85 55.97 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.986 -0.552 . . . . 63.05 111.408 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.53 ' HA ' ' HE3' ' A' ' 27' ' ' MET . 62.9 mtt -58.29 -51.39 69.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.12 0.486 . . . . 51.44 111.313 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -64.89 -35.58 81.61 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.179 -0.464 . . . . 61.01 111.808 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' ALA . 70.1 t -66.44 -53.28 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 111.636 0.235 . . . . 72.53 111.636 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.53 ' HE3' ' HA ' ' A' ' 24' ' ' MET . 27.4 ptt? -65.66 -28.19 68.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 120.916 -0.313 . . . . 73.22 111.118 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -58.28 -53.35 59.24 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.078 0.466 . . . . 73.42 111.137 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.66 -9.51 50.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.684 0.624 . . . . 71.24 112.684 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 4.0 tmt_? -68.53 -36.33 78.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.162 0.506 . . . . 73.21 109.94 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.465 ' HB2' HG21 ' A' ' 68' ' ' VAL . 56.0 m-85 -93.71 166.41 12.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.911 -0.586 . . . . 70.35 110.678 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.553 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 2.7 mpt_? -103.05 159.35 29.56 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 109.681 -0.488 . . . . 71.15 109.681 174.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -63.14 23.24 0.05 OUTLIER 'Trans proline' 0 CA--C 1.553 1.437 0 C-N-CA 122.974 2.449 . . . . 72.22 115.004 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -138.99 11.35 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 122.054 -0.403 . . . . 62.24 112.691 172.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -105.85 161.28 14.57 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.581 0.705 . . . . 75.43 112.458 -177.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mm -97.85 141.39 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 115.493 -0.776 . . . . 72.12 110.647 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.74 140.4 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.517 -0.31 . . . . 74.23 111.278 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -62.39 166.12 5.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.083 0.468 . . . . 64.41 112.181 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -59.78 -52.94 63.3 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.175 -0.466 . . . . 75.21 112.255 -176.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.87 -53.24 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 121.172 0.51 . . . . 74.42 111.604 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.5 -45.64 69.74 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.92 -0.582 . . . . 72.14 111.18 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -64.14 -41.81 98.27 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 116.077 -0.511 . . . . 74.42 112.756 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.67 76.05 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.008 0.432 . . . . 63.24 111.287 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.62 -46.47 90.16 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.896 -0.593 . . . . 62.32 110.765 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.33 -41.72 97.49 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.041 -0.527 . . . . 73.1 111.896 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.486 HG12 ' HE3' ' A' ' 50' ' ' LYS . 64.9 t -57.52 -52.22 59.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-O 120.969 0.414 . . . . 72.43 111.105 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -65.69 -34.6 78.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.838 0.351 . . . . 74.12 111.265 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.8 97.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.194 0.521 . . . . 72.11 110.875 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.39 -43.39 97.73 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.954 -0.567 . . . . 73.31 110.654 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.5 mttt -61.19 -11.85 10.7 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.657 0.614 . . . . 73.45 112.657 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -77.04 0.42 21.39 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.976 0.417 . . . . 74.22 110.975 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' NE2' ' SG ' ' A' ' 95' ' ' CYS . 73.6 m-70 -115.73 133.84 22.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 116.176 -0.466 . . . . 75.25 110.337 174.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.39 -13.15 31.08 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.235 1.957 . . . . 74.35 112.741 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.06 -2.79 58.89 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.86 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.78 70.2 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.19 0.441 . . . . 74.24 112.19 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -47.57 -34.08 7.28 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.587 0.588 . . . . 62.31 112.587 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -67.09 -44.74 79.25 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.012 0.434 . . . . 72.41 111.212 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 66.4 mttm -82.14 -26.49 33.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.167 -0.469 . . . . 65.03 112.12 -176.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.6 mt -83.04 -47.73 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 120.889 0.376 . . . . 72.21 111.426 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.22 -113.38 4.75 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.336 -0.459 . . . . 61.41 113.194 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.14 -26.88 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.473 2.115 . . . . 74.11 112.745 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.3 164.44 12.35 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.006 -0.616 . . . . 72.31 113.175 -178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.48 118.1 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.953 0.406 . . . . 74.33 111.145 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -68.8 -54.12 17.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.104 0.478 . . . . 73.43 110.544 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -174.54 -173.94 0.79 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.713 -0.676 . . . . 63.1 110.843 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.451 ' CE2' HG12 ' A' ' 80' ' ' ILE . 70.4 m-85 -121.84 139.95 52.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.82 0.343 . . . . 62.15 111.178 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -112.26 136.87 51.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.853 0.359 . . . . 73.12 110.876 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.0 t -87.45 109.21 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.032 -0.358 . . . . 75.01 110.032 175.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -129.8 150.25 51.19 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.652 0.263 . . . . 63.14 111.025 -176.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p -74.77 142.46 44.29 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.753 0.311 . . . . 63.2 110.834 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -133.03 -69.0 0.57 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.451 0.537 . . . . 63.15 112.451 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -147.61 167.64 24.05 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.579 -0.282 . . . . 75.15 110.561 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 63.29 5.05 1.85 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.705 0.402 . . . . 72.34 111.709 -175.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.3 18.88 73.72 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 120.888 -0.672 . . . . 74.12 112.026 -169.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.5 p -105.6 177.68 4.78 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.245 0.545 . . . . 72.13 111.695 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -96.94 162.07 13.56 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.899 -0.591 . . . . 52.44 111.596 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.4 m -147.33 149.83 33.58 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.313 -0.403 . . . . 50.22 110.971 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -86.03 123.45 31.36 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.905 0.384 . . . . 73.21 111.83 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.452 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 53.4 m95 -104.55 128.63 52.57 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.207 0.527 . . . . 64.45 111.507 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.451 HG12 ' CE2' ' A' ' 66' ' ' PHE . 30.4 mt -85.44 103.5 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.74 -0.663 . . . . 72.44 111.376 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.82 111.01 16.88 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.962 -0.461 . . . . 70.22 110.229 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -83.48 149.52 26.58 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.863 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -67.79 -13.68 62.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.653 0.612 . . . . 73.01 112.653 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -78.62 -32.18 47.35 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 122.217 -0.302 . . . . 63.14 111.568 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.22 -8.4 5.08 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.099 -0.572 . . . . 70.13 113.699 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.9 t -90.54 147.86 23.08 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.556 -0.379 . . . . 64.4 111.851 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -107.18 109.35 21.15 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.485 0.659 . . . . 71.51 111.495 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 58' ' ' LYS . 10.0 tp10 -95.04 170.41 9.43 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.341 -0.845 . . . . 74.43 110.581 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 13.0 ptm180 -146.41 165.44 29.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.886 -0.509 . . . . 73.32 111.366 173.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -151.23 141.61 22.44 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.055 0.455 . . . . 74.43 111.391 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -84.76 84.02 7.83 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.863 0.363 . . . . 63.53 110.924 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -51.84 -44.13 63.46 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.849 0.357 . . . . 75.43 111.914 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 18.47 0.13 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.122 0.786 . . . . 75.14 113.122 -177.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 46.6 mtpt -125.86 14.9 8.02 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.964 0.411 . . . . 74.21 110.974 171.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.456 ' SG ' ' NE2' ' A' ' 52' ' ' HIS . 73.5 m -93.7 28.29 2.39 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.152 0.427 . . . . 63.32 112.152 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.527 HG12 ' HG2' ' A' ' 17' ' ' LYS . 61.6 t -88.19 -86.69 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-O 120.716 0.293 . . . . 75.24 111.443 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 62.3 mt -156.79 -160.94 1.02 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.76 0.824 . . . . 75.2 109.127 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.82 116.21 3.93 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.073 0.463 . . . . 71.34 110.423 170.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -76.96 66.42 2.8 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.162 -0.681 . . . . 71.55 109.162 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -73.09 124.25 25.17 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.3 -0.864 . . . . 73.2 112.593 -166.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -141.94 144.69 33.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.919 -0.582 . . . . 73.11 111.234 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -59.72 119.33 7.43 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.866 0.365 . . . . 73.51 111.733 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -81.72 140.8 34.09 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.864 0.364 . . . . 65.11 111.015 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.791 -0.624 . . . . 74.44 110.612 175.539 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 110.282 -0.266 . . . . 72.51 110.282 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.6 143.68 49.86 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.665 0.269 . . . . 71.41 111.61 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.45 28.6 0.2 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.553 0.575 . . . . 64.41 112.553 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.06 175.77 6.16 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 111.742 0.275 . . . . 73.52 111.742 178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.436 ' HB3' ' HD2' ' A' ' 6' ' ' PRO . 49.9 mt-30 66.77 165.51 0.12 Allowed Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 122.87 0.468 . . . . 73.32 112.244 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 5' ' ' GLN . 11.0 Cg_endo -55.12 139.5 80.34 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.078 1.852 . . . . 73.53 111.56 171.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.548 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 2.4 mp -71.0 107.61 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.877 0.37 . . . . 71.34 111.121 -176.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -97.99 124.15 42.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.34 -0.391 . . . . 75.22 111.07 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.4 mt -137.46 109.6 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.403 -0.362 . . . . 75.13 110.584 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.67 30.3 19.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.465 0.543 . . . . 74.25 112.465 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.0 -4.03 65.11 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 121.141 -0.552 . . . . 41.43 113.21 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -95.56 131.47 41.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 122.366 -0.491 . . . . 73.32 110.907 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.56 132.88 53.72 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.348 0.594 . . . . 73.34 111.274 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.548 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 76.2 m-85 -122.41 141.23 51.81 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.189 -0.459 . . . . 70.45 111.604 -178.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.25 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.271 0.471 . . . . 55.04 112.271 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 166.31 24.64 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.823 0.344 . . . . 73.44 111.55 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.702 ' HE2' ' HA ' ' A' ' 96' ' ' VAL . 47.3 tptt -53.83 -47.31 71.05 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.092 0.472 . . . . 72.13 111.468 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -26.45 68.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.117 -0.492 . . . . 73.13 112.223 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 43.5 t0 -65.89 -36.74 84.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.233 0.54 . . . . 71.21 110.578 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -46.85 52.57 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.107 -0.497 . . . . 55.03 111.495 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.56 -44.7 95.67 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.067 -0.515 . . . . 72.23 111.443 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -61.46 -38.56 87.69 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.27 -0.423 . . . . 64.44 111.553 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.05 -49.57 73.36 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.032 0.444 . . . . 73.21 110.955 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.52 ' HA ' ' HE2' ' A' ' 27' ' ' MET . 77.4 mtm -62.08 -39.8 93.66 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.12 176.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.6 -44.42 93.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.464 -0.335 . . . . 71.52 111.038 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 22' ' ' ALA . 89.3 t -56.94 -57.67 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 111.726 0.269 . . . . 72.23 111.726 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.52 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 27.4 ptt? -65.59 -34.2 77.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.886 -0.326 . . . . 64.52 111.296 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.42 -46.42 80.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.322 0.582 . . . . 63.32 110.611 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.572 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -76.67 -10.48 59.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.689 -0.687 . . . . 71.0 111.441 178.795 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -77.65 -41.76 37.18 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 120.891 0.377 . . . . 72.33 110.121 176.284 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.451 ' HB2' HG21 ' A' ' 68' ' ' VAL . 97.3 m-85 -80.88 170.07 16.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.105 0.479 . . . . 74.2 111.365 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 6.7 mpt_? -107.76 153.16 41.69 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 116.573 -0.285 . . . . 73.44 110.788 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.87 78.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.651 2.234 . . . . 65.22 112.405 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.35 -17.94 0.16 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 114.785 -1.098 . . . . 45.03 113.45 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -83.92 157.01 22.09 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.962 0.727 . . . . 74.21 112.962 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 HD12 ' ND2' ' A' ' 65' ' ' ASN . 51.0 mm -96.13 134.53 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.214 -0.903 . . . . 75.51 110.266 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.47 139.55 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 112.097 0.406 . . . . 73.43 112.097 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.6 t -56.23 165.03 1.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.537 0.569 . . . . 72.33 112.537 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 84.9 m -58.36 -56.27 24.24 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.488 0.551 . . . . 61.31 112.488 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.4 -48.38 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 120.957 0.408 . . . . 73.34 111.496 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.19 -35.46 80.4 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.174 0.511 . . . . 73.14 111.149 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' O ' HG21 ' A' ' 46' ' ' VAL . . . -65.75 -41.96 95.48 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 116.113 -0.494 . . . . 38.67 112.345 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.06 74.6 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.12 0.486 . . . . 74.42 110.896 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.17 -47.7 82.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.95 -0.568 . . . . 74.44 110.526 173.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.35 -38.48 91.32 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.085 -0.507 . . . . 74.12 112.046 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.436 HG21 ' O ' ' A' ' 42' ' ' GLY . 98.3 t -55.79 -49.49 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.918 0.39 . . . . 64.11 110.994 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.96 -46.31 82.07 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.801 0.334 . . . . 75.22 111.492 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.478 -0.328 . . . . 75.3 111.477 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -78.48 -57.47 3.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.153 -0.476 . . . . 63.12 111.763 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -49.0 -31.06 6.84 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.999 0.74 . . . . 74.32 112.999 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -86.1 20.54 2.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.44 0.533 . . . . 72.23 112.44 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.414 ' CE1' ' SG ' ' A' ' 95' ' ' CYS . 79.1 m-70 -111.9 140.94 23.91 Favored Pre-proline 0 N--CA 1.471 0.596 0 N-CA-C 110.157 -0.312 . . . . 74.43 110.157 170.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.82 -37.17 57.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 121.972 1.782 . . . . 72.13 111.502 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.83 54.15 3.01 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.746 -0.661 . . . . 74.35 111.226 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.51 -40.14 1.8 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.36 0.504 . . . . 74.53 112.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -44.48 -48.58 10.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.544 0.942 . . . . 75.14 113.544 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.1 p -74.31 -26.58 60.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.013 0.435 . . . . 74.43 111.556 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -78.16 -30.17 49.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.211 -0.45 . . . . 71.13 111.162 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -79.36 -48.89 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 71.33 111.177 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.71 -128.29 32.05 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 121.021 -0.609 . . . . 51.34 112.786 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.95 -11.33 23.52 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.516 2.144 . . . . 72.33 113.038 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.33 164.4 10.93 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.776 -0.726 . . . . 64.51 113.913 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 66' ' ' PHE . 69.2 t -96.13 124.24 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.835 0.35 . . . . 74.14 111.078 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.529 ' HD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -85.64 -50.79 6.93 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.008 0.432 . . . . 74.13 110.359 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.529 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 3.3 p-10 -162.3 156.48 21.54 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.012 0.434 . . . . 74.5 111.977 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.434 ' CE2' HG11 ' A' ' 63' ' ' VAL . 86.3 m-85 -103.62 126.63 50.88 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.454 -0.339 . . . . 70.11 110.752 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -109.1 137.69 46.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.882 0.372 . . . . 75.11 111.332 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 31' ' ' TYR . 97.9 t -87.67 121.07 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.787 0.327 . . . . 73.15 110.585 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 35.0 ttm180 -135.98 158.15 45.11 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.735 -0.211 . . . . 73.42 110.851 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.8 p -64.98 123.09 18.55 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.715 0.293 . . . . 61.0 111.304 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 77' ' ' CYS . . . -78.32 -78.87 0.13 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.521 0.563 . . . . 62.54 112.521 -175.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -88.99 -75.27 0.44 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.096 0.474 . . . . 63.24 111.009 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -135.35 -78.75 0.44 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.126 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.81 40.73 2.43 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 121.208 -0.52 . . . . 64.31 112.287 174.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.5 p -131.38 174.18 10.33 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.84 0.352 . . . . 65.31 111.085 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -125.38 158.66 33.74 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.097 0.475 . . . . 51.2 112.075 -175.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.46 ' HB2' ' HB1' ' A' ' 71' ' ' ALA . 41.9 t -153.17 159.95 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.961 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.12 134.94 34.11 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 120.859 0.362 . . . . 73.14 111.204 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.452 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 35.6 m95 -114.94 125.67 53.89 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.431 0.634 . . . . 75.01 111.908 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.36 99.11 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.43 -0.804 . . . . 71.31 111.515 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 87' ' ' GLU . 4.1 mm? -83.55 101.81 11.71 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.689 -0.486 . . . . 74.23 109.689 172.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 86' ' ' SER . 1.2 mtp85 -78.76 158.11 28.32 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.999 -0.546 . . . . 74.42 112.181 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -67.29 -19.31 65.47 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.897 0.856 . . . . 74.32 109.86 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.71 -20.41 63.46 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.883 -1.053 . . . . 73.44 111.338 170.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.19 -40.88 2.27 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.203 -0.522 . . . . 72.35 112.444 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 26.9 m -66.1 144.51 56.65 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.772 0.32 . . . . 71.44 111.284 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HB3' HD11 ' A' ' 81' ' ' LEU . 7.7 pt-20 -99.25 159.44 14.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.96 0.41 . . . . 75.05 111.038 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.43 169.72 20.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 62.22 110.478 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -143.26 160.22 40.88 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.088 -0.383 . . . . 73.31 111.327 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -143.35 124.0 14.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.207 0.527 . . . . 65.15 111.828 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 m -79.2 76.21 5.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.139 0.495 . . . . 43.44 110.76 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -53.15 -30.82 39.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.579 0.955 . . . . 65.23 113.579 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -72.12 -2.69 19.5 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.634 0.605 . . . . 73.24 112.634 -175.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -106.15 8.52 32.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.882 0.372 . . . . 62.14 111.582 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 95' ' ' CYS . 50.6 t -98.43 39.98 1.21 Allowed 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.002 0.43 . . . . 54.41 111.624 -176.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.702 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 44.6 t -95.14 -95.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 N-CA-C 112.169 0.433 . . . . 75.22 112.169 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.4 mt -164.27 155.74 15.94 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.251 0.62 . . . . 62.23 110.718 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -128.6 -59.84 1.13 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.474 -0.33 . . . . 72.41 111.02 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -54.82 -45.7 74.44 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.45 0.537 . . . . 75.42 112.45 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -64.72 -9.54 20.8 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.11 0.411 . . . . 55.43 112.11 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 53.25 157.53 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.626 1.17 . . . . 73.24 113.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -168.25 77.26 0.14 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.802 -0.635 . . . . 71.54 111.46 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -177.9 163.39 1.79 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.258 -0.428 . . . . 63.02 111.044 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.5 p80 . . . . . 0 C--O 1.254 1.291 0 CA-C-N 116.384 -0.371 . . . . 74.43 110.603 171.713 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 111.859 0.318 . . . . 60.33 111.859 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.42 164.01 28.4 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.889 0.376 . . . . 72.14 111.774 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -71.66 99.48 2.11 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.099 0.476 . . . . 72.13 110.426 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.64 140.58 18.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.194 -0.457 . . . . 37.8 110.947 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -112.1 95.26 29.1 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-O 120.86 0.362 . . . . 75.13 111.517 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.25 114.16 1.27 Allowed 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.191 2.594 . . . . 74.01 112.723 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.1 mp -75.1 96.1 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.187 0.517 . . . . 43.42 110.071 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.4 tt0 -96.0 100.45 12.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.115 -0.493 . . . . 73.03 111.339 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -111.45 116.13 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 111.97 0.359 . . . . 62.34 111.97 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.86 31.73 20.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.339 0.496 . . . . 71.44 112.339 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.74 -16.73 58.34 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.046 -0.597 . . . . 74.35 113.254 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -87.44 103.82 15.87 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 73.41 110.748 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 5.6 pt-20 -90.88 98.9 12.05 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.137 0.494 . . . . 71.45 112.108 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -91.15 114.38 26.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.385 -0.37 . . . . 74.54 111.017 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.78 5.37 1.52 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.73 0.641 . . . . 72.32 112.73 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -165.04 143.49 6.43 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.783 0.325 . . . . 71.22 111.197 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.616 ' HE2' HG23 ' A' ' 96' ' ' VAL . 53.9 tptt -56.11 -44.31 78.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.762 0.315 . . . . 74.34 111.178 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.39 73.31 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.29 -0.414 . . . . 75.22 111.948 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -66.3 -43.13 87.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.059 0.457 . . . . 72.33 110.332 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' MET . . . -59.5 -45.97 90.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.048 -0.524 . . . . 63.13 111.331 175.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD23 ' HE3' ' A' ' 17' ' ' LYS . 89.1 mt -59.21 -44.2 92.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.181 -0.463 . . . . 64.22 111.53 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.531 ' O ' HG21 ' A' ' 26' ' ' VAL . . . -57.31 -53.77 54.31 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.429 -0.351 . . . . 63.32 111.125 176.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -53.74 -50.08 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.845 0.355 . . . . 75.3 111.658 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.513 ' SD ' ' HB2' ' A' ' 92' ' ' TYR . 66.1 mtt -57.04 -46.74 82.19 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.948 0.404 . . . . 71.43 111.141 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -40.26 96.73 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.157 -0.474 . . . . 61.12 110.894 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.531 HG21 ' O ' ' A' ' 22' ' ' ALA . 72.0 t -59.04 -54.14 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 111.748 0.277 . . . . 72.42 111.748 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -70.37 -27.31 64.22 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.896 0.379 . . . . 74.11 111.253 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 HD13 HG12 ' A' ' 68' ' ' VAL . 54.1 tp -61.63 -41.7 97.85 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.234 0.54 . . . . 72.43 110.617 174.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -85.35 -7.44 58.97 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.959 -0.564 . . . . 75.03 111.896 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -74.6 -49.68 20.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.014 0.435 . . . . 74.24 110.209 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -72.67 140.68 48.07 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 72.42 110.89 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -86.77 159.74 51.48 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.021 -0.536 . . . . 74.55 110.649 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.94 -1.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.355 2.703 . . . . 72.32 115.546 -176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -131.72 17.62 4.94 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.158 -0.544 . . . . 61.23 113.407 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -99.66 129.59 45.81 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.339 0.59 . . . . 63.31 112.027 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.6 mm -81.17 133.85 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.74 -0.664 . . . . 73.12 110.585 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.3 136.4 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.326 -0.397 . . . . 65.34 111.782 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -64.56 171.54 3.2 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.234 -0.439 . . . . 72.54 112.155 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.3 m -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.805 0.336 . . . . 71.34 111.728 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.83 -60.8 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.903 0.383 . . . . 54.41 111.192 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 44' ' ' PHE . 4.8 m-20 -57.95 -36.13 72.11 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.293 0.568 . . . . 55.31 110.971 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -61.78 -48.49 83.68 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-N 115.959 -0.564 . . . . 71.15 112.591 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.54 -40.05 71.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.027 0.442 . . . . 70.33 111.192 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 41' ' ' ASP . 68.2 t80 -54.17 -48.69 70.64 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.988 -0.551 . . . . 71.45 110.748 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.67 -34.98 79.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 111.792 178.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.626 HG12 ' HZ2' ' A' ' 50' ' ' LYS . 60.2 t -62.94 -43.23 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.944 0.402 . . . . 72.21 110.975 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -67.37 -41.89 84.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.063 0.459 . . . . 74.13 110.92 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.09 68.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.194 -0.457 . . . . 73.54 111.283 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 tp -79.22 -37.08 38.98 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.279 -0.419 . . . . 64.23 111.359 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HZ2' HG12 ' A' ' 46' ' ' VAL . 61.9 mttp -60.89 -21.07 62.95 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -84.35 26.99 0.72 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.01 0.433 . . . . 71.12 111.812 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.574 ' CE1' ' SG ' ' A' ' 95' ' ' CYS . 13.4 m-70 -123.96 145.5 48.12 Favored Pre-proline 0 N--CA 1.47 0.533 0 C-N-CA 122.396 0.278 . . . . 75.25 111.022 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.37 -16.85 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.93 1.754 . . . . 75.51 111.221 171.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 5.2 m-20 -98.36 12.66 34.17 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.342 -0.844 . . . . 63.43 111.385 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -49.97 -78.8 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.922 0.712 . . . . 51.25 112.922 -173.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -63.19 -23.42 67.42 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.872 0.323 . . . . 55.55 111.872 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.2 t -64.37 -50.84 66.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.112 0.482 . . . . 63.42 111.294 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HD2' ' HG3' ' A' ' 88' ' ' GLU . 33.9 mmtp -71.37 -32.71 68.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 74.13 110.996 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.486 HG22 HG21 ' A' ' 63' ' ' VAL . 90.1 mt -63.92 -41.35 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.025 0.441 . . . . 64.25 110.958 173.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.38 -119.95 18.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.277 -0.487 . . . . 73.02 112.471 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.36 -46.88 3.64 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.181 1.92 . . . . 73.53 112.02 173.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.48 154.22 10.74 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 115.951 -0.568 . . . . 73.22 112.697 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 59' ' ' ILE . 58.6 t -84.65 126.26 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 122.591 -0.358 . . . . 64.52 111.238 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.442 ' HD3' HG21 ' A' ' 83' ' ' THR . 27.6 tpt180 -93.8 -49.61 5.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.03 0.443 . . . . 73.5 110.422 178.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -164.65 -174.56 3.46 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.964 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.85 150.12 50.46 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.502 175.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -123.56 142.05 51.4 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.868 0.366 . . . . 75.11 111.195 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.421 HG12 HD13 ' A' ' 28' ' ' LEU . 75.2 t -101.83 101.25 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.103 0.477 . . . . 74.5 110.719 175.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 15.3 ttm180 -126.12 146.55 49.89 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.94 0.4 . . . . 75.24 111.507 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 57.7 p -76.77 129.42 36.27 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.331 -0.395 . . . . 61.33 110.597 174.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.36 -71.23 0.75 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.487 0.551 . . . . 55.42 112.487 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.466 ' HB2' ' OG1' ' A' ' 75' ' ' THR . 3.5 m-20 -81.78 -166.36 1.19 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.022 0.439 . . . . 53.03 111.256 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -60.06 85.93 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.894 0.378 . . . . 72.52 111.93 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.02 32.3 69.57 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 116.344 -0.389 . . . . 73.3 113.911 176.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.466 ' OG1' ' HB2' ' A' ' 72' ' ' ASP . 69.7 p -129.43 143.6 50.91 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 122.31 -0.523 . . . . 71.21 111.736 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.8 mt-30 -98.98 164.34 12.22 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.969 0.414 . . . . 63.42 111.522 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.521 ' SG ' ' NH2' ' A' ' 89' ' ' ARG . 91.3 m -148.25 152.51 37.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.424 -0.353 . . . . 75.55 111.063 175.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -85.55 113.8 22.08 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.896 0.379 . . . . 72.42 110.573 175.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.483 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 77.6 m95 -91.42 126.74 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 73.34 111.885 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 39.9 mt -82.75 103.84 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.966 -0.561 . . . . 73.45 111.057 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.14 100.64 12.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.044 0.449 . . . . 74.42 111.273 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.07 151.91 41.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.859 174.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.442 HG21 ' HD3' ' A' ' 64' ' ' ARG . 71.6 p -57.2 -33.18 67.23 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.633 0.73 . . . . 74.02 109.88 171.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.04 -30.25 61.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.764 -1.107 . . . . 71.31 112.334 173.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.91 -36.44 4.01 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.265 -0.493 . . . . 64.04 113.118 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -62.06 143.67 56.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.938 0.348 . . . . 75.02 111.938 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -119.05 158.42 25.86 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.149 0.5 . . . . 62.44 111.935 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.53 ' HG3' ' HD2' ' A' ' 58' ' ' LYS . 0.7 OUTLIER -146.23 139.24 25.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.285 -0.416 . . . . 74.3 110.102 178.399 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.521 ' NH2' ' SG ' ' A' ' 77' ' ' CYS . 11.5 ptm180 -106.0 103.82 13.4 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.997 -0.44 . . . . 74.53 112.063 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -91.04 130.6 36.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 75.25 111.605 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -82.01 102.29 10.87 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.15 0.5 . . . . 71.41 111.503 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.513 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 12.5 p90 -55.46 -29.52 58.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.795 -0.639 . . . . 71.21 112.648 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -81.95 -28.2 32.86 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.271 0.471 . . . . 72.53 112.271 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.3 -10.81 60.37 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.959 0.409 . . . . 65.04 111.281 174.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.574 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 58.7 m -82.93 61.03 5.74 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.033 0.444 . . . . 70.14 110.93 -176.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.616 HG23 ' HE2' ' A' ' 17' ' ' LYS . 39.1 t -129.16 -87.19 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.204 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 33.0 mt -165.52 158.87 16.18 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.237 1.015 . . . . 72.32 109.147 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -88.7 113.71 24.56 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.095 -0.378 . . . . 71.44 110.633 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -54.3 134.47 45.13 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.945 0.402 . . . . 75.02 112.024 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -53.69 143.35 20.69 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.165 -0.47 . . . . 72.23 112.132 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -87.4 142.33 27.95 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.779 0.659 . . . . 73.44 112.779 -171.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -85.97 19.7 2.5 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.967 -0.561 . . . . 73.11 111.48 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -84.09 97.7 9.47 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.904 0.383 . . . . 73.13 111.324 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.692 -0.671 . . . . 71.14 110.965 177.12 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.612 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.387 0.137 . . . . 73.33 111.226 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.65 82.74 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.503 0.557 . . . . 72.31 112.503 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -128.47 158.08 39.34 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.16 0.505 . . . . 72.32 111.747 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.26 120.01 20.94 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.254 -0.43 . . . . 72.11 110.984 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -140.99 161.49 53.43 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.515 -0.311 . . . . 72.33 111.238 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -49.28 131.85 27.67 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.893 2.395 . . . . 73.14 113.962 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.464 ' N ' HD13 ' A' ' 7' ' ' ILE . 3.0 mp -76.11 108.3 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.523 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.0 OUTLIER -90.68 121.96 33.04 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.931 0.396 . . . . 55.15 111.284 -178.063 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -133.07 116.59 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.471 -0.331 . . . . 64.33 111.152 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.8 27.86 17.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.715 0.635 . . . . 74.22 112.715 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.48 0.5 61.01 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.41 -0.424 . . . . 45.12 113.47 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -114.46 111.5 21.51 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.669 -0.313 . . . . 71.23 110.904 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -91.58 136.08 33.39 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.215 0.531 . . . . 70.54 111.184 179.45 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.659 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 72.5 m-85 -116.72 118.17 31.81 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.162 -0.472 . . . . 72.51 111.042 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.92 -27.07 40.45 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.224 0.824 . . . . 75.31 113.224 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -139.17 154.32 48.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.862 0.363 . . . . 71.02 111.407 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.786 ' HE2' ' HA ' ' A' ' 96' ' ' VAL . 41.4 tptt -49.78 -48.14 50.71 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.029 -0.532 . . . . 74.31 112.114 -178.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.96 67.59 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.92 0.711 . . . . 73.51 112.92 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.659 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 25.1 t0 -64.19 -37.34 87.11 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.139 0.495 . . . . 63.31 110.969 -177.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.63 98.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.208 0.528 . . . . 42.14 111.019 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.31 -39.22 93.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.798 -0.637 . . . . 73.31 110.715 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.74 98.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.058 -0.519 . . . . 62.03 111.268 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.0 -52.06 65.54 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.297 -0.41 . . . . 75.24 111.089 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.793 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 75.0 mtm -56.29 -24.34 42.45 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.588 0.588 . . . . 72.22 112.588 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -70.9 -48.58 52.88 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.999 -0.438 . . . . 75.03 110.987 170.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.48 -55.59 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 120.951 0.405 . . . . 72.02 111.331 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.793 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 11.7 ptm -58.79 -36.26 74.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.136 -0.484 . . . . 74.34 111.244 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.23 -39.91 82.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.852 0.358 . . . . 65.32 111.665 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.558 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -78.68 -16.4 57.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.151 0.5 . . . . 52.11 110.926 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.62 -38.45 86.98 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.018 -0.537 . . . . 63.25 111.419 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -93.71 161.67 14.24 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.296 0.569 . . . . 72.43 111.8 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.56 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 6.2 mpt_? -100.15 163.57 18.04 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 109.323 -0.621 . . . . 71.32 109.323 174.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.56 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 39.7 Cg_endo -64.96 20.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.548 1.223 0 C-N-CA 122.611 2.208 . . . . 70.32 114.894 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -141.96 10.43 2.57 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 121.273 -0.489 . . . . 36.42 113.373 175.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -96.57 161.95 13.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.563 0.697 . . . . 70.12 112.479 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -104.35 132.3 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.652 -0.704 . . . . 75.54 110.32 175.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 45' ' ' LEU . 61.6 t -60.14 121.25 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.857 0.361 . . . . 74.43 111.103 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.0 m -62.16 173.27 1.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.213 0.53 . . . . 65.42 112.367 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.1 m -55.95 -55.7 29.55 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.193 0.812 . . . . 62.25 113.193 -173.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.91 -60.14 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.97 0.414 . . . . 71.42 111.749 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.168 -0.469 . . . . 53.12 111.413 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 46' ' ' VAL . . . -63.99 -46.34 91.65 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 121.339 -0.458 . . . . 71.11 112.743 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.71 64.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.108 0.48 . . . . 63.55 111.232 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.44 -51.11 68.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.66 -0.7 . . . . 72.23 110.808 175.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 37' ' ' VAL . 96.4 mt -59.52 -34.03 72.11 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.103 -0.499 . . . . 75.13 111.99 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 42' ' ' GLY . 91.4 t -57.89 -51.94 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.845 0.355 . . . . 65.01 110.932 176.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -66.28 -38.34 87.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.877 0.37 . . . . 74.22 110.943 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -57.57 -39.53 76.95 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.254 0.549 . . . . 70.13 110.887 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 ' HG ' ' HB3' ' A' ' 55' ' ' ALA . 54.4 tp -69.04 -55.79 9.74 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.088 -0.505 . . . . 70.01 110.925 174.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -50.75 -36.6 37.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 2.0 ptm180 -71.38 1.75 5.85 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.036 0.446 . . . . 70.34 112.146 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -94.04 133.83 26.94 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 122.462 0.305 . . . . 74.51 110.482 172.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.62 -12.1 26.73 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.904 2.403 . . . . 63.31 113.914 -175.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -122.08 26.87 8.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.168 0.508 . . . . 65.12 111.988 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -73.51 -51.87 15.53 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.474 -0.33 . . . . 61.03 111.219 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 t -45.07 -45.78 11.19 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.024 0.749 . . . . 74.53 113.024 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.4 t -57.62 -36.13 71.38 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.933 0.397 . . . . 65.3 111.931 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -100.91 5.62 43.36 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.173 0.434 . . . . 75.33 112.173 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 55' ' ' ALA . 69.8 mt -88.55 -46.06 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.79 0.328 . . . . 70.15 110.287 171.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.96 -117.82 10.58 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 114.889 0.716 . . . . 54.2 114.889 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.4 -4.11 14.89 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.086 2.524 . . . . 62.42 113.891 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.07 168.89 12.85 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 120.734 -0.746 . . . . 62.03 113.513 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.555 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 62.8 t -87.81 117.8 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.102 0.408 . . . . 73.3 112.102 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.648 HH11 ' ND2' ' A' ' 65' ' ' ASN . 2.1 tmt_? -79.53 -61.13 2.1 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 109.15 -0.685 . . . . 63.31 109.15 173.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.648 ' ND2' HH11 ' A' ' 64' ' ' ARG . 42.5 p30 -169.98 -173.44 1.56 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.02 0.438 . . . . 70.1 111.221 170.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -119.61 130.83 55.3 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.397 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -106.51 144.75 32.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.063 0.459 . . . . 51.43 111.846 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.52 96.63 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.07 -0.514 . . . . 72.15 109.862 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -104.98 158.1 16.77 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.954 0.407 . . . . 55.1 111.993 -173.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.4 m -56.71 147.89 21.66 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.966 0.728 . . . . 55.22 112.966 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.18 140.75 29.52 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.008 -0.542 . . . . 63.44 111.43 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.53 -10.7 47.58 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.443 0.534 . . . . 72.41 112.443 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -80.0 10.72 3.97 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.274 0.472 . . . . 74.44 112.274 -175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.14 -35.51 3.42 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.065 -0.588 . . . . 71.2 112.481 -176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.3 p -91.48 -162.87 0.96 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.56 0.344 . . . . 54.22 110.642 175.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.03 -171.8 1.97 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 122.212 -0.305 . . . . 75.41 110.764 174.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.7 t -138.62 146.4 41.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.739 0.304 . . . . 36.42 111.491 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -84.47 129.53 34.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.842 0.353 . . . . 74.1 111.058 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -114.35 136.03 53.44 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.445 0.64 . . . . 74.33 111.973 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.7 mt -86.53 104.03 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.216 -0.902 . . . . 73.44 111.314 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.84 128.72 35.05 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.033 0.444 . . . . 64.03 111.032 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.555 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 5.9 mmp_? -102.93 144.31 31.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.252 -0.431 . . . . 74.14 110.756 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 p -55.96 -33.89 65.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.175 0.512 . . . . 74.01 111.206 177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.25 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.761 -0.654 . . . . 70.22 111.935 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.23 -31.59 1.16 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.097 -0.573 . . . . 74.42 113.127 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.1 m -75.45 112.28 11.61 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.565 -0.374 . . . . 61.21 111.403 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.9 153.85 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.244 0.545 . . . . 63.25 111.745 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -138.11 159.25 42.54 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.857 -0.611 . . . . 65.15 110.516 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -115.35 156.47 25.45 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.087 -0.383 . . . . 73.21 111.388 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.09 122.63 15.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 75.45 111.446 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.8 m -73.66 95.82 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.303 -0.408 . . . . 71.51 110.736 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -55.75 -27.73 52.26 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.66 0.615 . . . . 73.31 112.66 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -23.15 61.23 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 111.857 0.317 . . . . 74.34 111.857 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -88.37 62.51 6.68 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.417 0.627 . . . . 73.34 111.247 175.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.5 t -143.18 12.61 1.8 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.59 -0.732 . . . . 71.33 110.989 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.786 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 59.6 t -82.19 -89.98 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 111.994 0.368 . . . . 63.41 111.994 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.6 mt -150.22 152.91 35.33 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.0 0.429 . . . . 63.11 111.546 -176.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.59 82.8 1.71 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.868 -0.605 . . . . 71.13 109.784 172.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -99.65 128.3 45.76 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.02 -0.536 . . . . 73.2 111.565 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -77.9 42.82 0.4 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.374 0.607 . . . . 65.42 112.588 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -166.53 101.6 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.167 -0.679 . . . . 72.33 109.167 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -77.83 165.91 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.179 0.807 . . . . 73.32 113.179 -171.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -91.41 179.05 5.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.42 -0.809 . . . . 71.23 110.237 174.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.4 m80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.815 -0.612 . . . . 62.4 111.363 176.548 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo . . . . . 0 CA--C 1.54 0.784 0 CA-C-O 121.158 0.399 . . . . 75.11 112.683 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.2 mp -74.03 103.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.288 -0.415 . . . . 53.01 111.037 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -91.23 123.37 34.62 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.018 0.437 . . . . 72.02 111.625 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.75 113.03 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.004 -0.544 . . . . 70.22 110.354 173.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.01 28.63 18.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.965 0.412 . . . . 41.14 111.823 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.36 40.61 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.403 -0.427 . . . . 74.14 113.17 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -75.09 117.35 16.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.539 -0.389 . . . . 74.3 110.614 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.04 104.63 16.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.308 0.575 . . . . 72.32 111.614 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.01 136.23 33.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.329 -0.396 . . . . 61.24 111.101 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.25 5.71 13.89 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.695 0.628 . . . . 71.05 112.695 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 19.6 tpp180 -163.61 150.18 11.93 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 122.245 -0.284 . . . . 62.54 111.375 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.09 -45.55 90.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.9 0.381 . . . . 74.45 110.839 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.77 65.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.877 0.37 . . . . 65.42 111.828 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 37.9 t0 -69.06 -42.32 76.4 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.184 0.516 . . . . 61.41 110.538 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.84 96.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.15 -0.477 . . . . 50.33 111.363 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.91 -41.61 99.5 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.219 -0.446 . . . . 63.51 111.354 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -53.89 -51.6 63.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.233 -0.44 . . . . 71.14 111.607 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.77 -48.71 63.64 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.035 0.445 . . . . 71.42 111.536 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.95 -40.48 95.07 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.388 -0.369 . . . . 72.11 111.814 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -64.81 -37.65 88.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.706 0.288 . . . . 72.34 111.568 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 22' ' ' ALA . 96.4 t -57.61 -58.9 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.655 0.264 . . . . 53.13 111.681 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.645 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.1 ptt? -62.99 -40.64 98.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.957 -0.297 . . . . 75.31 111.083 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.41 -50.22 62.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.055 0.455 . . . . 70.0 111.45 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.6 -18.8 65.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.161 -0.472 . . . . 75.41 111.832 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -85.48 -7.87 58.66 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.056 0.391 . . . . 75.0 112.056 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -108.55 162.88 13.72 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.972 0.415 . . . . 75.23 111.236 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 80.6 mtm180 -105.74 163.47 17.01 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.476 -0.329 . . . . 62.24 110.33 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 49.7 Cg_endo -66.22 19.24 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 122.724 2.283 . . . . 73.21 115.134 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.97 12.09 1.08 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.043 -0.599 . . . . 55.1 113.324 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.521 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -104.87 147.63 27.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.252 0.549 . . . . 60.54 112.017 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -85.93 135.76 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.885 -0.598 . . . . 75.22 111.232 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 141.62 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.294 -0.412 . . . . 73.53 111.463 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -59.89 153.48 20.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.824 0.345 . . . . 61.15 111.872 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.7 m -58.99 -37.47 76.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.794 0.331 . . . . 73.03 111.656 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.44 -52.53 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.045 0.45 . . . . 60.41 111.404 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.645 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 31.0 m-20 -65.88 -40.41 91.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.127 0.489 . . . . 54.0 110.809 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -57.55 -42.13 93.88 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 116.028 -0.533 . . . . 71.14 112.7 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -34.92 72.36 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.074 0.464 . . . . 74.35 111.413 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.29 -46.93 69.01 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.043 -0.526 . . . . 71.13 110.509 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.21 -40.56 81.95 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.622 -0.717 . . . . 74.14 111.998 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 42' ' ' GLY . 91.0 t -54.77 -53.42 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 120.811 0.339 . . . . 72.41 111.327 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -67.64 -35.85 79.66 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 120.879 0.371 . . . . 72.34 111.183 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.98 71.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.265 0.555 . . . . 74.34 110.997 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 tp -75.96 -53.13 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.092 -0.504 . . . . 71.51 110.824 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -53.71 -25.13 17.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.193 0.812 . . . . 70.51 113.193 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -78.45 13.92 1.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.184 0.439 . . . . 71.31 112.184 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -114.19 140.7 25.31 Favored Pre-proline 0 N--CA 1.47 0.537 0 C-N-CA 122.507 0.323 . . . . 71.11 110.795 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -23.28 68.14 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.509 2.139 . . . . 72.45 113.006 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 14.9 m-20 -81.38 3.15 25.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.206 0.447 . . . . 74.22 112.206 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.69 -57.45 2.3 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.999 0.741 . . . . 62.23 112.999 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.5 t -55.22 -40.69 71.11 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.239 0.459 . . . . 75.52 112.239 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 m -69.55 -40.45 76.81 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.808 0.337 . . . . 55.13 111.486 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 29.0 mmmt -71.3 -46.92 59.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.094 0.473 . . . . 74.14 111.377 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.91 -50.51 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.76 -0.654 . . . . 63.34 112.705 -174.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.96 -116.83 4.93 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.843 -0.694 . . . . 74.24 112.621 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.43 -21.53 6.27 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.507 2.138 . . . . 73.14 113.02 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.64 153.31 6.34 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.092 -0.575 . . . . 75.33 113.169 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.28 124.42 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 120.932 0.396 . . . . 74.22 111.089 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -91.61 -48.15 7.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.717 0.294 . . . . 62.21 110.697 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -167.66 175.66 6.88 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.904 0.383 . . . . 72.11 111.285 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.19 135.12 55.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.154 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -120.54 137.32 54.45 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.816 0.341 . . . . 50.24 111.058 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.38 114.81 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.662 0.268 . . . . 74.0 110.454 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -135.83 159.24 42.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.69 0.281 . . . . 73.41 110.48 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 121.096 0.474 . . . . 70.44 112.084 -176.591 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 120.677 0.275 . . . . 74.42 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.3 m -147.91 158.21 43.92 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.748 0.309 . . . . 74.02 111.236 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.81 125.15 35.21 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.178 0.513 . . . . 75.14 111.579 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -103.02 132.4 49.31 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.147 0.498 . . . . 64.41 111.557 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.5 mt -88.81 109.35 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.9 -0.591 . . . . 70.43 111.388 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -88.51 114.12 24.8 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.851 0.358 . . . . 72.43 110.26 175.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -79.32 154.6 28.96 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.225 0.536 . . . . 73.14 112.014 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.7 p -66.03 -19.38 65.83 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.125 -0.489 . . . . 63.13 112.171 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.18 -5.13 53.51 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 120.772 0.32 . . . . 72.21 111.815 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.16 4.3 56.51 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.373 -0.441 . . . . 64.25 113.576 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 m -95.75 -178.74 4.48 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.416 -0.461 . . . . 41.34 111.477 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.66 161.67 37.94 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.213 0.53 . . . . 73.03 111.937 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.79 169.09 21.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.94 -0.573 . . . . 75.35 110.663 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -133.3 142.67 48.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.628 0.252 . . . . 70.43 110.954 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -136.65 137.64 40.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.199 0.523 . . . . 72.51 111.38 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.1 m -83.63 95.03 8.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.191 -0.458 . . . . 52.23 111.26 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -51.31 -28.24 11.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.72 0.637 . . . . 71.41 112.72 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 112.66 0.615 . . . . 75.3 112.66 -178.375 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo . . . . . 0 CA--C 1.544 0.981 0 N-CA-C 113.426 0.51 . . . . 52.23 113.426 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.9 mp -94.87 103.1 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 116.396 -0.366 . . . . 62.24 110.64 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 119.09 34.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.895 0.379 . . . . 63.13 111.352 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -123.24 109.83 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 120.729 0.299 . . . . 73.1 111.351 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.63 48.5 20.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.391 0.515 . . . . 73.22 112.391 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -2.97 81.6 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.204 -0.522 . . . . 73.13 113.77 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.78 106.96 18.41 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.138 -0.625 . . . . 75.24 110.866 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.08 109.05 17.95 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.131 -0.486 . . . . 63.24 111.992 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -103.06 103.03 13.08 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.979 0.419 . . . . 64.34 110.39 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 5.65 8.28 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.34 0.496 . . . . 72.41 112.34 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -153.87 141.78 20.18 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.741 0.305 . . . . 74.54 111.12 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -57.36 -36.27 70.98 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.591 0.589 . . . . 74.34 112.591 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.51 -32.81 71.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.862 0.319 . . . . 63.13 111.862 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.92 -41.64 95.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.039 0.447 . . . . 64.42 111.324 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.56 76.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.976 0.417 . . . . 53.42 111.385 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 93' ' ' LYS . 55.5 mt -67.63 -34.44 76.97 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.117 -0.492 . . . . 65.55 111.42 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.61 -47.07 87.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.367 -0.379 . . . . 72.43 111.285 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -62.1 -54.99 33.52 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.373 -0.376 . . . . 60.54 110.8 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.474 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 66.1 mtt -49.3 -37.97 25.95 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.858 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.21 -51.27 66.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.697 0.284 . . . . 74.12 111.21 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 22' ' ' ALA . 58.9 t -59.69 -46.96 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 112.074 0.398 . . . . 52.35 112.074 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.5 ptm -65.95 -40.71 91.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.798 0.332 . . . . 74.14 111.508 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 76' ' ' GLN . 55.4 tp -64.67 -43.77 92.5 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.081 0.467 . . . . 42.43 111.374 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -72.27 -0.23 11.64 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.32 0.489 . . . . 54.11 112.32 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.6 -22.72 21.09 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.151 0.5 . . . . 73.25 111.07 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.606 ' HB2' HG21 ' A' ' 68' ' ' VAL . 80.7 m-85 -110.22 140.8 43.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.285 -0.416 . . . . 72.23 110.517 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.536 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 56.2 mtm180 -94.6 164.57 19.45 Favored Pre-proline 0 N--CA 1.468 0.468 0 CA-C-N 116.532 -0.304 . . . . 72.15 111.457 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 19.2 Cg_endo -59.01 77.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.641 2.227 . . . . 64.34 112.649 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 -5.15 0.62 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 114.813 -1.085 . . . . 71.54 113.424 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.92 145.24 25.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.223 0.535 . . . . 74.41 111.952 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.401 HD12 HD22 ' A' ' 65' ' ' ASN . 50.1 mm -88.06 129.58 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.922 -0.581 . . . . 71.1 110.096 172.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 60.9 t -61.3 132.41 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.454 -0.339 . . . . 74.53 111.609 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -60.93 169.23 2.02 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.661 0.615 . . . . 53.33 112.661 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.3 m -57.91 -57.79 11.23 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.621 0.6 . . . . 75.5 112.621 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.81 -48.36 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 121.006 0.432 . . . . 63.44 111.83 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.97 -39.0 90.64 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.008 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.06 -48.99 79.49 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 116.137 -0.483 . . . . 51.13 112.599 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.38 -37.16 64.68 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.956 0.408 . . . . 72.35 111.472 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.47 -49.53 76.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.044 -0.526 . . . . 70.11 110.595 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.11 -38.12 78.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.737 -0.665 . . . . 74.42 111.927 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 42' ' ' GLY . 66.4 t -58.73 -46.06 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.726 0.298 . . . . 52.15 111.164 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 16.2 mm-40 -62.77 -52.48 63.05 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.863 0.363 . . . . 73.52 111.008 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.35 61.61 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.096 0.474 . . . . 64.24 111.609 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.9 tp -74.07 -48.2 31.47 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.899 -0.591 . . . . 65.33 111.151 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -66.78 -7.83 24.09 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.603 0.594 . . . . 71.21 112.603 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 75.1 mtp85 -80.26 -5.1 55.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.965 0.412 . . . . 75.23 111.345 174.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -95.65 138.23 21.82 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.496 -0.32 . . . . 75.15 110.957 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.08 -23.44 60.74 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.274 1.983 . . . . 61.41 111.945 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 57' ' ' SER . 3.4 m-20 -84.75 25.98 0.87 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.063 0.545 . . . . 63.23 111.326 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.92 -64.33 0.85 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.957 0.725 . . . . 71.41 112.957 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -55.51 -31.89 62.43 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 112.308 0.484 . . . . 72.03 112.308 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 54' ' ' ASP . 24.0 t -56.08 -33.67 65.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.006 0.432 . . . . 71.51 111.792 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HB3' HD12 ' A' ' 80' ' ' ILE . 44.7 mmtm -102.76 -33.43 9.39 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.405 -0.361 . . . . 74.51 111.942 -177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 63' ' ' VAL . 66.2 mt -81.75 -48.01 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 112.274 0.472 . . . . 71.23 112.274 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.65 -129.4 19.19 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 120.863 -0.684 . . . . 52.34 111.888 -171.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.27 -41.66 2.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.432 2.088 . . . . 74.13 112.756 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.82 158.53 27.58 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.988 -0.625 . . . . 51.14 113.31 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 59' ' ' ILE . 68.8 t -94.92 126.83 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 122.55 -0.383 . . . . 55.21 111.242 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -59.01 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.835 0.35 . . . . 61.41 110.285 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.401 HD22 HD12 ' A' ' 36' ' ' ILE . 4.1 p-10 -153.08 152.25 31.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.142 0.496 . . . . 53.51 111.979 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 91.5 m-85 -99.04 143.93 28.76 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.261 -0.427 . . . . 64.21 111.041 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.14 143.99 48.81 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.002 0.429 . . . . 74.24 110.985 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.9 t -101.61 113.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 73.13 110.829 175.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 14.5 ttm180 -131.55 150.17 52.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.32 -0.4 . . . . 71.33 111.038 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.835 0.35 . . . . 61.2 111.87 -177.191 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.493 ' HB2' HD21 ' A' ' 28' ' ' LEU . 16.8 mt-30 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.084 0.468 . . . . 62.53 111.85 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.94 143.16 29.34 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.458 -0.337 . . . . 74.34 111.294 176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.975 0.417 . . . . 71.15 111.535 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 60.6 m95 -102.79 135.87 43.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.151 0.501 . . . . 75.12 110.936 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' A' ' 58' ' ' LYS . 53.5 mt -98.34 110.0 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 111.98 0.363 . . . . 63.4 111.98 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.43 100.51 11.91 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.639 0.733 . . . . 44.02 109.531 170.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -76.73 153.92 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.074 -0.967 . . . . 75.22 112.401 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -61.33 -21.35 63.92 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.798 0.809 . . . . 73.44 110.136 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.11 -26.83 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.737 -1.12 . . . . 72.54 111.522 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.74 -15.66 40.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.491 -0.385 . . . . 74.4 113.112 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.0 p -97.63 162.93 13.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.223 0.535 . . . . 73.42 112.241 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 81' ' ' LEU . 6.3 pt-20 -117.0 143.02 46.21 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.928 -0.578 . . . . 60.33 111.532 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -157.69 141.55 15.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.797 0.332 . . . . 73.34 111.157 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.48 159.99 14.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.046 0.45 . . . . 53.2 112.172 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -135.62 145.06 46.47 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.115 0.483 . . . . 75.33 111.299 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 63.1 p -79.85 95.67 6.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.219 0.533 . . . . 52.52 111.841 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -64.61 -27.68 69.1 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.217 -0.302 . . . . 74.31 111.765 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 21.6 ptmt . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.894 0.378 . . . . 73.05 111.79 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo . . . . . 0 CA--C 1.541 0.833 0 CA-C-O 121.082 0.368 . . . . 73.14 112.292 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.546 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -87.14 75.06 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 121.49 0.662 . . . . 71.4 110.467 177.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 51' ' ' ARG . 2.2 tm-20 -93.03 111.43 23.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.108 -0.496 . . . . 55.42 110.415 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -124.05 115.83 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 111.987 0.366 . . . . 64.12 111.987 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.23 28.2 14.76 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.595 0.591 . . . . 54.42 112.595 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.15 -20.57 44.74 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 121.451 -0.404 . . . . 75.13 112.646 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -85.07 103.83 14.43 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.95 0.405 . . . . 71.15 110.0 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 10.8 pt-20 -93.09 122.6 35.62 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.501 0.556 . . . . 72.2 112.501 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.527 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 56.8 m-85 -122.46 130.56 53.19 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.274 -0.421 . . . . 73.42 110.482 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.91 -8.25 57.43 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 122.143 -0.348 . . . . 74.44 111.897 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -143.51 145.95 32.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.903 0.382 . . . . 72.41 111.542 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HE3' HD21 ' A' ' 21' ' ' LEU . 46.0 tptt -58.66 -42.11 87.66 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.519 0.562 . . . . 73.23 112.519 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.68 -32.88 44.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.199 0.523 . . . . 73.42 111.391 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.91 -47.31 62.99 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.866 -0.606 . . . . 70.32 111.787 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 7' ' ' ILE . . . -55.83 -39.6 71.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.293 0.568 . . . . 34.21 110.618 174.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD21 ' HE3' ' A' ' 17' ' ' LYS . 93.7 mt -64.03 -45.88 86.92 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.731 -0.668 . . . . 52.13 111.057 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.94 77.51 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.03 0.382 . . . . 71.52 112.03 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.96 -56.49 21.37 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.013 0.435 . . . . 74.54 111.053 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.7 mtm -67.2 -22.2 65.74 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.281 -0.418 . . . . 74.25 111.719 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.15 -56.29 9.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.961 0.41 . . . . 72.22 111.032 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 -55.27 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.333 -0.394 . . . . 74.01 112.035 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.42 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.2 ptt? -64.34 -33.7 76.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.965 0.358 . . . . 74.05 111.965 -176.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HG ' ' HB2' ' A' ' 76' ' ' GLN . 51.6 tp -59.71 -49.97 75.67 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.117 0.484 . . . . 54.22 110.922 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -71.59 -16.18 62.29 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.949 -0.568 . . . . 64.11 112.081 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -67.85 -41.12 83.43 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.117 0.484 . . . . 75.4 111.07 174.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.407 ' HB2' HG21 ' A' ' 68' ' ' VAL . 93.5 m-85 -90.51 157.98 17.26 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.459 0.647 . . . . 74.13 111.727 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.8 mtt85 -106.52 161.01 24.23 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 115.836 -0.62 . . . . 74.3 110.588 -177.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 35.4 Cg_exo -57.14 76.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.616 2.211 . . . . 72.54 112.578 176.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 157.0 -26.99 0.51 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-N 114.974 -1.012 . . . . 70.12 112.923 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.31 137.22 55.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.271 0.557 . . . . 74.34 112.243 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.7 140.18 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.906 -0.588 . . . . 71.22 110.344 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.54 144.05 15.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 120.668 0.27 . . . . 70.22 111.322 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -65.07 165.57 10.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.346 0.594 . . . . 71.11 112.408 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 m -60.81 -27.79 68.3 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.929 -0.578 . . . . 74.45 111.337 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.73 -59.78 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.191 -0.459 . . . . 62.1 111.339 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 39.6 m-20 -63.04 -32.57 73.97 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.014 0.435 . . . . 75.13 111.23 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -57.7 -47.79 86.15 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.202 -0.454 . . . . 75.53 112.556 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.69 -35.48 74.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.139 0.495 . . . . 55.5 111.249 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.38 -47.41 85.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.905 -0.589 . . . . 74.04 110.397 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.68 -38.55 90.8 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.88 -0.6 . . . . 72.31 111.87 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG12 ' HE3' ' A' ' 50' ' ' LYS . 57.5 t -58.98 -48.51 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.856 0.36 . . . . 73.11 110.979 178.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.93 -40.89 94.96 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.996 0.427 . . . . 74.44 111.35 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.04 -26.23 68.17 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.956 0.408 . . . . 21.54 111.562 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.14 -43.79 32.74 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.333 -0.394 . . . . 74.13 111.491 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.575 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.7 mttt -55.3 -18.83 7.03 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.102 0.778 . . . . 63.31 113.102 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 8' ' ' GLU . 94.6 mtt180 -87.88 17.32 4.95 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.346 0.498 . . . . 71.1 112.346 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -111.6 136.53 21.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.473 -0.33 . . . . 74.14 110.413 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -26.01 81.3 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.645 1.564 . . . . 72.21 110.593 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -19.4 59.02 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.411 -1.268 . . . . 71.23 111.997 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -51.35 -50.4 59.54 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.599 0.592 . . . . 74.21 112.599 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -48.04 -37.02 13.99 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 111.99 0.367 . . . . 61.01 111.99 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.4 t -74.43 -50.95 16.38 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.883 0.373 . . . . 73.11 110.95 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.615 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 22.6 mtmm -80.76 18.35 1.0 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.811 0.671 . . . . 63.21 112.811 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HA ' HH11 ' A' ' 82' ' ' ARG . 80.9 mt -111.58 -47.72 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.372 -0.603 . . . . 63.03 109.372 164.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.88 -117.29 5.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.828 -0.624 . . . . 71.54 113.908 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.32 -19.0 15.57 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.802 2.334 . . . . 41.32 113.586 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.79 173.32 20.75 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.622 -0.799 . . . . 64.31 114.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG13 ' NH2' ' A' ' 82' ' ' ARG . 92.1 t -90.92 125.08 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.828 0.347 . . . . 72.54 111.689 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -91.11 -67.17 0.87 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.871 0.367 . . . . 73.21 110.424 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -168.55 -174.24 2.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.168 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -129.27 141.85 51.0 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.205 -0.452 . . . . 65.51 110.371 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -127.19 146.84 50.26 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.051 0.453 . . . . 65.3 111.914 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 33' ' ' PRO . 86.9 t -101.22 119.26 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.989 0.423 . . . . 73.43 112.017 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 62.4 mtt180 -131.4 160.07 36.14 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.281 -0.418 . . . . 65.53 110.703 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 120.908 0.385 . . . . 70.34 111.352 179.208 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.429 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt-30 . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 120.771 0.319 . . . . 70.41 111.077 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.9 m -149.07 149.24 30.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.867 0.365 . . . . 72.2 111.411 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -87.89 118.41 27.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.262 -0.426 . . . . 65.53 111.039 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.446 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 42.2 m95 -93.55 127.05 39.03 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.25 0.548 . . . . 71.42 111.781 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.1 mt -89.76 106.4 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.669 -0.696 . . . . 64.44 111.728 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -90.88 128.14 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.007 0.432 . . . . 74.12 110.807 176.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.615 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 3.0 mmp_? -103.12 152.21 21.67 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.288 -0.257 . . . . 74.41 111.314 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.3 p -59.26 -28.09 66.4 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 121.34 0.59 . . . . 71.11 110.716 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -55.31 -35.02 64.68 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.463 -0.789 . . . . 74.22 111.823 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.53 -29.47 6.93 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.345 -0.455 . . . . 75.34 112.456 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.4 m -63.87 149.55 46.81 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.057 0.391 . . . . 72.31 112.057 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.38 166.97 18.48 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.177 0.513 . . . . 72.24 111.638 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.533 ' HG2' ' HD3' ' A' ' 58' ' ' LYS . 9.2 tp10 -167.39 167.58 13.76 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.728 -0.669 . . . . 74.03 110.148 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 6.6 ptm180 -129.1 152.54 48.58 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 122.057 -0.402 . . . . 72.11 111.235 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -136.96 136.48 38.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.105 0.478 . . . . 64.51 111.493 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 m -86.06 96.03 9.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.373 -0.376 . . . . 70.21 111.811 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -55.24 -29.06 57.3 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.076 0.465 . . . . 74.44 111.807 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 115.83 -0.623 . . . . 74.54 112.268 179.07 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo . . . . . 0 CA--C 1.543 0.946 0 CA-C-O 120.94 0.308 . . . . 64.22 112.824 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.2 mp -84.47 113.08 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 120.702 0.287 . . . . 64.2 111.746 -174.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -106.53 116.78 32.52 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.665 0.269 . . . . 50.52 110.585 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.2 mt -133.4 110.78 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.707 0.289 . . . . 74.11 111.623 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.88 34.48 24.87 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.835 0.68 . . . . 72.32 112.835 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.46 -0.55 77.84 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.18 -0.533 . . . . 51.13 113.074 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -101.98 112.63 25.34 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 122.684 -0.304 . . . . 75.13 110.435 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.57 124.86 41.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.01 0.433 . . . . 73.33 111.336 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -116.19 118.28 32.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.807 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 4.6 7.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.565 0.58 . . . . 72.23 112.565 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.6 ptt180 -164.15 152.08 12.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.021 0.438 . . . . 64.33 111.257 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -60.53 -40.95 93.36 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.206 0.447 . . . . 74.33 112.206 -177.242 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.05 75.13 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.877 0.325 . . . . 72.42 111.877 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 37.3 t0 -61.01 -43.83 98.32 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.207 0.527 . . . . 71.44 110.934 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.81 86.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.154 -0.476 . . . . 61.43 111.624 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.4 -36.46 84.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.388 -0.369 . . . . 72.55 111.629 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.38 63.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.792 0.33 . . . . 64.12 111.033 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -50.09 -45.88 53.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.129 0.49 . . . . 74.12 111.413 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -70.75 -40.69 72.55 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.846 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -61.37 -44.6 96.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.725 0.298 . . . . 73.15 111.678 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.74 -56.12 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 111.707 0.262 . . . . 74.24 111.707 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -62.8 -28.03 69.71 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.886 0.374 . . . . 75.2 111.02 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.65 -44.36 96.46 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.385 -0.37 . . . . 44.21 111.258 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -75.65 -22.85 56.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.706 0.288 . . . . 72.33 111.572 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -46.45 76.7 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.912 0.387 . . . . 71.23 110.304 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.01 129.8 34.89 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.108 0.48 . . . . 74.2 110.581 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 79.2 mtp180 -66.22 146.35 99.02 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.088 -0.505 . . . . 71.35 111.957 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 25.3 Cg_exo -65.01 25.02 0.08 OUTLIER 'Trans proline' 0 CA--C 1.55 1.299 0 C-N-CA 123.453 2.769 . . . . 44.23 114.8 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.59 9.99 0.93 Allowed Glycine 0 CA--C 1.528 0.857 0 C-N-CA 121.373 -0.441 . . . . 73.25 112.838 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.15 172.97 6.62 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.439 0.533 . . . . 72.54 112.439 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -95.57 147.54 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.82 -0.627 . . . . 74.14 111.545 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -83.17 145.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.471 -0.331 . . . . 64.03 111.321 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 m -67.01 163.82 19.07 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.061 0.458 . . . . 72.11 111.972 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.8 m -59.29 -52.61 64.92 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.765 0.654 . . . . 73.42 112.765 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.16 -50.09 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 120.926 0.393 . . . . 63.43 111.824 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.01 -37.39 76.78 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.062 0.458 . . . . 74.32 110.937 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.04 -43.44 90.78 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.146 -0.479 . . . . 70.14 112.91 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.02 66.3 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.126 0.489 . . . . 71.41 110.991 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.74 -50.69 72.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.807 -0.633 . . . . 72.54 110.487 174.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.8 -38.95 76.42 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.752 -0.658 . . . . 75.02 111.646 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' HE2' ' A' ' 50' ' ' LYS . 97.6 t -58.59 -48.14 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.682 0.277 . . . . 71.45 111.345 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -64.53 -45.12 88.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.992 0.425 . . . . 62.1 111.146 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.07 68.25 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.091 0.472 . . . . 61.32 111.123 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 tp -74.38 -44.21 53.11 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.016 -0.538 . . . . 73.35 111.103 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HE2' HG12 ' A' ' 46' ' ' VAL . 64.9 mttm -52.99 -36.57 60.53 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.231 0.826 . . . . 64.14 113.231 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -77.52 14.01 1.11 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.2 0.445 . . . . 61.11 112.2 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -109.76 129.42 23.94 Favored Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 122.724 0.41 . . . . 71.32 110.083 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.79 -22.22 67.06 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.165 1.91 . . . . 72.02 112.434 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.72 -11.19 59.86 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.048 -0.524 . . . . 60.11 111.868 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.61 -51.17 22.16 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.802 0.667 . . . . 70.44 112.802 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -51.71 -35.43 42.9 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.996 0.739 . . . . 74.45 112.996 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -76.7 -30.28 56.64 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.738 0.304 . . . . 71.12 111.69 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -83.76 -29.37 27.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.998 0.428 . . . . 72.23 111.496 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.464 HG23 HG23 ' A' ' 63' ' ' VAL . 78.0 mt -78.74 -43.15 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.279 -0.419 . . . . 74.21 111.386 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.05 -130.93 49.9 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.987 -0.625 . . . . 64.43 112.411 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -75.3 -16.4 19.59 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.625 2.217 . . . . 71.01 113.469 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.95 150.87 6.18 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 34.42 113.86 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG23 HG23 ' A' ' 59' ' ' ILE . 70.4 t -89.23 121.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 122.702 0.401 . . . . 72.31 111.174 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -77.64 -58.91 3.01 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.734 0.302 . . . . 75.52 111.114 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -166.39 -177.16 3.92 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.705 0.288 . . . . 72.44 111.023 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.28 133.65 55.42 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.845 0.355 . . . . 74.14 111.558 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -120.33 144.89 47.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.466 -0.334 . . . . 51.15 110.658 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.43 138.18 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.039 0.447 . . . . 64.32 112.071 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 63.9 mtt180 -142.46 -177.6 5.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.928 0.491 . . . . 52.54 110.522 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 86.7 p . . . . . 0 N--CA 1.469 0.509 0 CA-C-N 116.499 -0.319 . . . . 73.15 110.302 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 44.8 mt-30 . . . . . 0 CA--C 1.539 0.553 0 CA-C-O 120.708 0.29 . . . . 72.03 110.541 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 52.4 t -157.51 152.37 25.53 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.918 0.39 . . . . 72.43 111.864 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.56 123.87 39.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.06 -0.518 . . . . 71.4 111.043 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 55.1 m95 -103.34 134.44 46.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.045 0.45 . . . . 73.12 111.264 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.7 mt -95.01 115.49 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.412 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -84.95 112.04 20.23 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.812 0.339 . . . . 75.13 110.605 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -83.81 146.93 27.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.764 0.316 . . . . 74.42 111.602 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.1 p -64.93 -16.6 63.5 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.864 0.364 . . . . 71.02 111.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.83 -27.83 65.47 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.307 -0.406 . . . . 72.31 111.532 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.17 22.15 7.33 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 116.223 -0.444 . . . . 70.22 112.982 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.6 p -135.24 -179.43 5.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.758 0.314 . . . . 71.44 111.346 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HB3' HD13 ' A' ' 81' ' ' LEU . 5.2 pt-20 -142.57 150.14 39.98 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.618 0.599 . . . . 44.15 112.618 -175.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.36 146.8 15.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.154 -0.475 . . . . 62.24 111.14 171.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.447 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 28.4 ptt-85 -94.46 170.21 9.65 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.232 0.539 . . . . 71.34 112.165 -175.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -139.47 145.32 38.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.016 0.436 . . . . 71.35 111.064 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.3 m -83.59 85.67 7.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.896 0.379 . . . . 61.41 111.863 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -57.81 -26.61 62.21 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.978 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.7 pttt . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 120.915 0.388 . . . . 71.2 111.651 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 38.5 Cg_exo . . . . . 0 CA--C 1.541 0.863 0 CA-C-O 120.844 0.268 . . . . 64.42 112.446 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.8 mp -77.01 95.73 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.898 0.38 . . . . 62.31 111.024 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 37.4 tt0 -103.19 118.87 37.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.116 0.484 . . . . 75.35 111.166 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.8 mt -126.1 125.2 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.286 -0.415 . . . . 61.04 111.255 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.18 32.91 22.45 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.071 0.397 . . . . 65.54 112.071 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.41 -10.05 62.67 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.961 -0.638 . . . . 54.11 113.376 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -91.53 108.89 20.21 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.13 -0.322 . . . . 73.25 110.13 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -87.34 135.27 33.39 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.257 0.551 . . . . 71.03 112.322 -176.229 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.409 ' HE2' ' HE1' ' A' ' 44' ' ' PHE . 64.3 m-85 -126.77 119.3 26.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.984 -0.553 . . . . 75.21 110.414 174.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -60.09 -24.07 64.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.969 0.414 . . . . 61.42 112.01 -178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -144.98 144.34 30.99 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.322 -0.399 . . . . 74.21 111.207 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.7 -35.5 70.71 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.799 0.296 . . . . 73.34 111.799 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.97 -47.52 74.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 72.33 111.421 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.67 -36.69 79.37 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.274 -0.421 . . . . 74.14 111.02 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.73 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.122 -0.49 . . . . 62.44 111.66 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.672 0.272 . . . . 74.23 111.07 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.56 -46.82 86.07 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.967 0.413 . . . . 73.01 110.852 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.72 -48.8 78.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.014 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -56.87 -49.37 75.7 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.135 -0.484 . . . . 70.53 111.251 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.55 -51.21 70.81 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.057 -0.519 . . . . 73.34 112.003 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' ALA . 96.7 t -56.94 -59.24 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 111.81 0.3 . . . . 74.21 111.81 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -58.93 -30.94 68.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.706 0.289 . . . . 63.54 111.263 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.75 -47.78 71.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.064 0.459 . . . . 65.4 111.436 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.5 -20.17 66.04 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.608 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 28.7 mmt180 -68.79 -23.25 64.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.902 0.382 . . . . 60.24 110.94 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -93.56 168.71 10.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.183 0.516 . . . . 74.42 110.772 173.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.63 165.12 14.31 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.157 -0.474 . . . . 74.34 109.952 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -67.35 35.36 0.15 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 122.722 2.282 . . . . 60.41 114.381 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.39 31.84 0.13 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 121.046 -0.597 . . . . 71.54 113.622 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.08 172.26 7.04 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.47 0.653 . . . . 71.34 112.425 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -99.88 139.52 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.647 -0.706 . . . . 73.14 110.88 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.4 145.38 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.822 0.344 . . . . 71.43 111.808 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -79.97 -176.72 5.64 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.842 0.682 . . . . 61.32 112.842 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.1 m -59.69 -68.25 0.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.923 0.712 . . . . 74.22 112.923 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.54 -44.61 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.213 0.53 . . . . 71.42 111.305 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 m-20 -56.7 -45.91 81.55 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.578 -0.737 . . . . 73.24 111.078 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -68.38 -42.91 80.81 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 116.261 -0.427 . . . . 40.01 113.02 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.52 87.73 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.128 0.49 . . . . 64.11 110.869 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' HE1' ' HE2' ' A' ' 14' ' ' PHE . 84.1 t80 -55.84 -44.99 78.52 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.741 -0.663 . . . . 74.24 111.043 175.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 94.1 mt -61.23 -43.35 99.01 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.117 -0.492 . . . . 73.24 111.798 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 42' ' ' GLY . 62.3 t -58.2 -46.9 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.194 0.521 . . . . 71.14 111.109 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.93 -34.47 77.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.14 -0.482 . . . . 75.43 111.439 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.22 61.37 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.881 0.372 . . . . 64.54 111.462 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.81 -48.24 15.15 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.29 -0.414 . . . . 71.03 111.687 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.56 -26.28 54.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.94 0.718 . . . . 73.55 112.94 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -81.21 20.14 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.047 0.451 . . . . 75.44 112.072 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -114.49 140.23 24.94 Favored Pre-proline 0 N--CA 1.471 0.582 0 N-CA-C 109.907 -0.405 . . . . 64.13 109.907 170.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.09 -27.13 83.89 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 121.982 1.788 . . . . 35.32 111.943 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 2.3 m-20 -73.62 -15.9 61.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.638 -0.71 . . . . 64.5 111.69 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.6 62.25 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.72 0.637 . . . . 51.44 112.72 -174.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 t -49.77 -40.11 40.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.904 0.383 . . . . 54.1 111.748 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -82.72 -33.98 27.39 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.004 0.43 . . . . 71.22 111.633 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 51.9 mttm -83.98 -6.76 59.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.57 0.581 . . . . 52.05 112.57 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.5 mt -110.11 -57.3 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.99 0.424 . . . . 73.41 110.881 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.36 -116.4 9.11 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 116.22 -0.445 . . . . 72.5 113.475 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.71 -20.82 15.16 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.718 2.279 . . . . 63.04 113.232 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.61 173.84 23.21 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.852 -0.69 . . . . 54.35 113.453 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 57.3 t -114.69 121.25 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 73.0 111.148 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -73.75 -52.68 12.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.727 0.299 . . . . 61.33 110.322 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -171.92 -177.4 1.92 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.227 0.536 . . . . 71.0 111.418 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -120.1 143.74 47.99 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.038 -0.528 . . . . 65.21 110.508 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.03 141.69 51.97 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.904 0.383 . . . . 73.22 111.398 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -101.13 120.79 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.919 0.39 . . . . 72.31 111.737 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -133.37 165.16 25.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.851 0.358 . . . . 75.2 111.027 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 109.051 -0.722 . . . . 74.42 109.051 169.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 120.897 0.379 . . . . 63.42 111.563 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 90.6 m -152.68 161.85 42.03 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.397 -0.365 . . . . 52.43 110.847 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -90.56 131.47 36.26 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.115 0.483 . . . . 65.22 111.792 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -101.98 130.97 48.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.047 -0.524 . . . . 70.21 110.858 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.91 107.86 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.575 0.226 . . . . 75.33 111.451 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.1 mm? -96.51 107.04 19.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.776 0.322 . . . . 63.44 110.454 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.534 ' NH1' ' HA ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -83.74 157.57 22.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.709 0.29 . . . . 65.55 111.573 -178.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.9 p -59.51 -28.78 67.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.369 0.604 . . . . 75.34 110.764 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -58.99 -26.37 64.45 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.552 -0.749 . . . . 73.32 111.596 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.38 -32.53 6.92 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 116.384 -0.371 . . . . 75.22 112.495 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -59.32 142.64 51.57 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.218 0.451 . . . . 70.54 112.218 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.422 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -114.7 157.29 23.36 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.765 178.191 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -154.81 115.84 3.99 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.186 0.517 . . . . 73.22 112.201 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -68.36 125.62 27.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.973 -0.558 . . . . 72.13 110.152 168.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -120.05 125.24 47.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.474 0.654 . . . . 75.53 111.096 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -72.59 88.45 1.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 45.12 111.68 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -55.92 -31.97 63.36 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.485 0.66 . . . . 73.44 110.342 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.5 pttt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 115.293 -0.867 . . . . 73.41 112.383 177.498 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 12.6 Cg_exo . . . . . 0 CA--C 1.539 0.753 0 CA-C-O 121.079 0.366 . . . . 65.04 112.424 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.3 mp -71.36 88.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.039 0.447 . . . . 75.11 110.059 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.36 130.47 35.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.967 0.413 . . . . 53.14 111.295 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mt -138.0 113.66 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.357 -0.383 . . . . 65.34 110.727 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.94 25.56 15.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.922 0.392 . . . . 71.43 111.909 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.45 -11.09 69.0 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.323 -0.465 . . . . 55.1 113.164 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -83.27 117.83 23.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.413 -0.463 . . . . 74.21 110.486 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -91.9 121.85 33.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.339 0.59 . . . . 54.14 112.136 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.418 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 85.6 m-85 -115.36 110.31 19.18 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.965 0.412 . . . . 74.43 110.855 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.83 -3.81 10.74 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.687 0.625 . . . . 73.21 112.687 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -152.85 139.32 18.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.405 0.282 . . . . 54.13 110.584 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -43.49 90.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.858 0.361 . . . . 65.22 111.544 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.63 65.69 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.931 0.345 . . . . 54.23 111.931 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.51 -44.24 78.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.106 0.479 . . . . 65.44 110.014 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.74 -46.28 90.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.884 -0.598 . . . . 64.03 111.735 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.25 -43.78 98.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.51 -0.314 . . . . 74.42 111.027 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.97 -47.8 83.84 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.294 -0.412 . . . . 64.32 111.176 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.8 -53.72 55.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.3 -0.409 . . . . 73.12 111.419 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.2 mtm -62.16 -36.16 81.0 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.466 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -62.6 -49.41 75.33 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.841 0.353 . . . . 73.23 110.344 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' ALA . 79.1 t -57.12 -57.01 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.389 -0.368 . . . . 73.45 111.455 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -57.41 -39.63 76.58 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.792 0.329 . . . . 64.3 110.92 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.41 -41.78 81.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.225 0.536 . . . . 64.43 111.215 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -79.75 9.53 5.06 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.993 -0.549 . . . . 72.23 112.289 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 26' ' ' VAL . 2.3 mpt_? -103.59 -6.89 21.24 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.953 0.406 . . . . 71.52 111.019 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' HB2' HG21 ' A' ' 68' ' ' VAL . 84.9 m-85 -107.33 156.44 18.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 75.43 110.102 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.544 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -83.21 155.69 66.77 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 109.861 -0.422 . . . . 75.14 109.861 176.306 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 68' ' ' VAL . 55.9 Cg_endo -67.56 26.71 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.275 0 C-N-CA 122.838 2.359 . . . . 61.41 114.763 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.3 32.48 0.2 Allowed Glycine 0 CA--C 1.528 0.852 0 C-N-CA 120.991 -0.623 . . . . 73.42 113.498 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 6.5 m-20 -122.26 172.22 8.45 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.438 0.637 . . . . 75.13 112.666 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.536 HD13 ' HG2' ' A' ' 67' ' ' GLU . 42.0 mm -74.49 139.32 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.374 -0.83 . . . . 63.42 112.364 -176.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -82.8 150.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.172 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 p -68.17 171.65 6.76 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.289 0.566 . . . . 61.24 112.324 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.3 m -64.22 -48.29 76.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.058 -0.519 . . . . 75.32 111.536 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.33 -52.7 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.175 -0.466 . . . . 64.43 111.438 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.46 -40.72 68.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.941 0.4 . . . . 63.14 111.11 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -59.12 -53.7 44.16 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.352 -0.452 . . . . 73.5 112.836 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.79 73.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.139 0.495 . . . . 62.52 111.277 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -58.66 -51.56 69.4 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.789 -0.641 . . . . 70.21 110.684 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.47 -35.18 73.59 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.992 -0.549 . . . . 73.42 112.136 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 50' ' ' LYS . 88.1 t -57.27 -51.78 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 120.885 0.374 . . . . 70.1 111.454 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -62.43 -41.29 98.61 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.782 0.325 . . . . 71.22 111.435 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -34.72 76.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.084 0.469 . . . . 61.42 111.233 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 tp -67.98 -39.02 83.38 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.992 -0.549 . . . . 64.34 111.537 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.2 mttt -59.0 -14.57 9.75 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.053 0.76 . . . . 73.31 113.053 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -90.05 13.9 13.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.29 0.567 . . . . 73.52 111.099 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -102.95 136.84 19.18 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.008 -0.542 . . . . 71.24 111.521 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.87 -22.04 49.57 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.057 1.838 . . . . 70.1 111.427 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.08 -1.98 58.03 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.639 -0.709 . . . . 74.54 112.123 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.2 -45.11 79.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.228 0.455 . . . . 75.4 112.228 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -56.98 -25.0 57.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.925 0.393 . . . . 73.01 111.838 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -89.85 -35.31 15.72 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.667 0.387 . . . . 63.05 111.436 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -72.78 -31.6 64.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.992 0.425 . . . . 43.11 111.722 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 63' ' ' VAL . 72.2 mt -80.22 -44.05 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 116.334 -0.394 . . . . 63.41 111.233 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.23 -113.84 5.83 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 121.409 -0.424 . . . . 61.51 113.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.29 -20.35 8.5 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.568 2.178 . . . . 65.32 113.128 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.52 150.36 5.37 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.32 -0.467 . . . . 43.14 113.148 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 59' ' ' ILE . 58.8 t -87.71 115.12 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.041 0.448 . . . . 72.51 111.382 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -81.95 -55.96 4.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.925 0.393 . . . . 74.04 111.074 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -162.3 -175.79 4.75 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.935 0.397 . . . . 72.24 111.198 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.461 ' CE2' HG12 ' A' ' 80' ' ' ILE . 79.6 m-85 -127.67 144.55 51.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.499 -0.319 . . . . 54.2 111.059 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HG2' HD13 ' A' ' 36' ' ' ILE . 44.0 mt-10 -129.93 151.85 50.04 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.034 0.445 . . . . 72.53 111.144 175.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 31' ' ' TYR . 58.4 t -89.93 147.1 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.084 0.469 . . . . 65.15 111.596 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 3.5 tpm_? -141.45 163.58 32.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.368 -0.378 . . . . 75.12 110.46 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 57.6 p . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 120.649 0.262 . . . . 71.11 111.001 175.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.747 0.308 . . . . 65.43 111.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 69' ' ' ARG . 28.0 p -149.5 157.25 43.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.888 0.375 . . . . 73.44 111.527 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.93 133.94 43.57 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.28 -0.418 . . . . 74.44 111.377 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -115.38 138.76 50.65 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.192 0.52 . . . . 75.12 111.802 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.461 HG12 ' CE2' ' A' ' 66' ' ' PHE . 48.1 mt -90.16 113.87 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.749 -0.659 . . . . 75.23 111.499 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.9 mm? -87.14 103.48 15.45 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.14 0.495 . . . . 72.14 110.584 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -79.91 148.37 31.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.858 -0.61 . . . . 64.44 111.697 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -58.65 -21.13 53.22 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.385 0.612 . . . . 73.03 110.852 175.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -52.65 -43.95 65.81 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.441 -0.799 . . . . 71.42 111.91 171.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.59 6.92 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.914 -0.66 . . . . 52.1 113.288 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.6 m -104.72 136.03 44.99 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.388 0.613 . . . . 50.1 112.078 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.56 ' HB3' HD13 ' A' ' 81' ' ' LEU . 9.1 pt-20 -83.85 155.17 23.08 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.843 -0.617 . . . . 63.3 111.934 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -155.08 140.89 18.14 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.035 -0.53 . . . . 74.25 110.624 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -96.45 169.32 9.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.704 0.764 . . . . 74.3 112.755 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -142.96 132.01 23.04 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.679 -0.691 . . . . 63.34 110.557 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 p -70.65 97.5 1.35 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.116 0.484 . . . . 40.1 111.203 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.65 -38.13 88.49 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.326 0.491 . . . . 72.31 112.326 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 112.558 0.577 . . . . 74.53 112.558 -174.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo . . . . . 0 CA--C 1.543 0.944 0 CA-C-O 121.119 0.383 . . . . 72.15 113.055 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -80.03 102.76 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 120.975 0.417 . . . . 54.34 111.216 -177.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -91.92 114.37 26.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.029 0.442 . . . . 64.11 111.065 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -126.89 110.43 23.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.463 -0.335 . . . . 71.24 111.319 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.07 33.22 22.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.003 0.43 . . . . 70.52 111.958 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 -22.41 39.59 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.49 -0.386 . . . . 72.14 112.972 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -78.66 104.68 9.43 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.734 0.302 . . . . 55.53 110.762 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -88.66 111.16 21.6 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.347 -0.388 . . . . 55.34 111.889 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.425 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 83.6 m-85 -94.38 123.84 38.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.41 -0.359 . . . . 74.55 111.15 177.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.251 0.463 . . . . 74.55 112.251 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HG2' ' OD2' ' A' ' 19' ' ' ASP . 19.6 ptp180 -130.06 165.68 21.73 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.879 0.371 . . . . 74.52 110.954 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -63.34 -38.47 91.29 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.354 0.597 . . . . 73.05 110.849 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.22 62.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.474 -0.784 . . . . 65.31 112.232 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' OD2' ' HG2' ' A' ' 16' ' ' ARG . 33.5 m-20 -62.17 -48.06 81.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.934 0.397 . . . . 54.4 111.286 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.45 84.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.281 -0.418 . . . . 71.13 111.734 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 93' ' ' LYS . 56.1 mt -64.13 -46.98 81.74 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.95 0.405 . . . . 75.41 111.607 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.0 -52.1 66.42 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.89 0.376 . . . . 74.44 111.511 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 27' ' ' MET . 88.9 t80 -53.2 -61.36 2.35 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.98 -0.554 . . . . 73.23 111.592 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.12 -31.39 68.89 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.612 0.597 . . . . 74.23 112.612 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -68.83 -47.56 65.71 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.87 -0.519 . . . . 72.13 111.225 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.7 t -53.31 -58.28 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 120.67 0.271 . . . . 63.22 111.443 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 11.9 ptm -57.06 -41.09 78.09 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.376 -0.374 . . . . 71.21 111.538 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 68' ' ' VAL . 53.7 tp -58.14 -41.14 83.05 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.019 0.438 . . . . 72.11 111.616 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -67.44 -21.35 65.56 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.333 -0.394 . . . . 70.11 111.997 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -76.55 -11.77 59.92 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.082 0.468 . . . . 75.3 110.982 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' HB2' HG21 ' A' ' 68' ' ' VAL . 90.7 m-85 -105.13 162.01 13.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.165 -0.47 . . . . 75.03 109.845 170.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.479 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 33.8 mtp180 -106.81 159.77 28.71 Favored Pre-proline 0 CA--C 1.538 0.508 0 O-C-N 122.123 -0.36 . . . . 71.44 110.843 176.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -65.06 26.0 0.08 OUTLIER 'Trans proline' 0 CA--C 1.552 1.396 0 C-N-CA 122.979 2.453 . . . . 61.3 114.469 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -156.03 33.41 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 112.15 -0.38 . . . . 61.34 112.15 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 m-20 -136.03 162.55 32.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.03 0.443 . . . . 72.3 111.759 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.27 144.89 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 121.155 0.502 . . . . 75.34 111.677 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.11 141.83 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.236 -0.438 . . . . 74.04 111.194 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -55.31 144.41 25.08 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.948 0.404 . . . . 74.32 111.852 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -58.97 -38.67 79.63 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.218 0.451 . . . . 64.23 112.218 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.65 -55.55 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 121.085 0.469 . . . . 65.1 111.128 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.89 -34.68 68.13 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.123 -0.489 . . . . 64.12 111.109 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -60.35 -46.09 94.96 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-N 116.171 -0.468 . . . . 71.35 112.751 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.77 -40.2 72.28 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.093 0.473 . . . . 71.54 111.095 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -59.82 -50.33 74.22 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.857 -0.61 . . . . 71.44 110.761 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.41 -35.9 74.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.854 -0.612 . . . . 71.42 112.016 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' HE3' ' A' ' 50' ' ' LYS . 89.4 t -57.82 -48.61 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 120.804 0.335 . . . . 74.45 111.034 176.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 50.1 mm-40 -67.61 -38.94 84.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.973 0.416 . . . . 70.33 110.76 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -32.27 70.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.151 0.501 . . . . 71.51 111.131 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD22 HD13 ' A' ' 80' ' ' ILE . 51.2 tp -73.39 -41.14 63.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.062 -0.517 . . . . 70.24 110.995 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HE3' HG12 ' A' ' 46' ' ' VAL . 98.6 mttt -60.09 -25.21 65.24 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.085 0.469 . . . . 62.43 111.562 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.3 mmp_? -62.33 -14.78 43.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.555 175.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -101.19 144.29 28.28 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 122.742 0.417 . . . . 75.22 111.238 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.05 -16.76 40.79 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.26 1.973 . . . . 61.2 111.732 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.53 -9.43 59.33 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.783 -0.644 . . . . 64.02 111.635 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.96 20.79 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.068 0.766 . . . . 51.34 113.068 -173.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -51.52 -35.58 41.11 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.951 0.405 . . . . 70.31 112.082 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -81.68 -41.34 21.5 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.987 0.423 . . . . 70.15 111.387 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -75.53 -20.77 58.48 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.347 0.499 . . . . 64.3 112.347 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.6 -55.46 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.925 0.393 . . . . 73.45 111.144 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.37 -115.48 7.96 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.242 -0.504 . . . . 70.2 113.291 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 56.9 Cg_endo -69.61 -23.34 31.58 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.657 2.238 . . . . 62.4 113.045 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.03 167.5 12.26 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.98 -0.628 . . . . 54.43 113.213 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.54 118.74 48.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.016 0.436 . . . . 60.23 111.225 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -86.03 -46.95 10.02 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.894 0.378 . . . . 72.24 111.184 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -170.55 176.42 4.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.074 0.464 . . . . 72.25 111.141 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.75 132.22 55.57 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.374 -0.376 . . . . 71.31 110.687 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -121.63 139.03 54.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.416 -0.356 . . . . 72.24 110.382 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 28' ' ' LEU . 68.6 t -87.97 134.8 27.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.835 0.35 . . . . 75.21 111.599 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 12.5 ttm-85 -141.91 -175.2 4.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.481 -0.327 . . . . 73.24 110.223 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.265 0.555 . . . . 63.3 112.29 -176.92 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 120.925 0.393 . . . . 71.0 112.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 20.6 m -153.53 154.06 33.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.063 -0.517 . . . . 72.21 111.121 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -82.43 119.75 24.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.463 -0.335 . . . . 74.45 111.189 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.441 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 42.5 m95 -101.61 127.27 48.41 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.559 0.695 . . . . 74.21 111.649 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 33.8 mt -83.89 103.56 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.468 -0.787 . . . . 63.35 111.896 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -80.02 104.79 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 75.43 110.122 173.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -81.89 151.38 27.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 71.14 111.764 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.0 p -59.5 -17.85 35.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.011 0.434 . . . . 70.04 111.732 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.55 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 5.2 t70 -54.4 -39.71 67.52 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.023 -0.535 . . . . 72.33 111.284 171.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.64 -34.25 3.07 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 115.749 -0.66 . . . . 41.31 112.218 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.4 t -88.64 167.55 13.27 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.458 0.647 . . . . 75.23 112.146 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HB3' HD13 ' A' ' 81' ' ' LEU . 10.8 pt-20 -104.77 177.35 4.87 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.841 -0.618 . . . . 70.22 112.03 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 14.6 tp10 -158.29 168.11 27.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.596 -0.729 . . . . 75.02 109.403 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -140.15 152.43 46.06 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.639 -0.663 . . . . 75.02 112.029 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -138.53 110.78 7.38 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.318 0.58 . . . . 61.13 110.176 171.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -76.78 74.85 3.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.218 0.532 . . . . 65.11 111.419 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -52.12 -31.18 29.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.691 -0.686 . . . . 73.1 112.545 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HA ' HD22 ' A' ' 21' ' ' LEU . 47.5 pttt . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 113.065 0.765 . . . . 71.22 113.065 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 CA--C 1.539 0.742 0 CA-C-O 120.966 0.319 . . . . 70.2 112.566 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -72.96 94.02 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.262 0.553 . . . . 63.03 110.326 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -87.91 110.46 20.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.254 0.55 . . . . 51.41 111.972 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt -124.56 120.3 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.86 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 47' ' ' GLU . . . 56.52 34.67 24.75 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.968 0.413 . . . . 62.43 111.966 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.74 -26.23 17.38 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 121.214 -0.517 . . . . 54.52 113.209 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -75.88 115.66 15.8 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.78 -0.247 . . . . 63.41 111.32 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -94.07 106.47 18.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.003 0.43 . . . . 51.13 111.121 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.71 139.47 30.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.861 0.362 . . . . 73.13 111.897 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.99 74.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.974 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -158.26 172.39 18.46 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.416 -0.357 . . . . 71.24 110.698 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HE2' HD21 ' A' ' 21' ' ' LEU . 22.3 tptm -57.25 -41.61 79.95 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.281 -0.262 . . . . 55.43 111.209 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.1 76.1 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.977 0.418 . . . . 60.32 111.662 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.27 -38.86 88.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.239 0.542 . . . . 63.14 110.314 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.53 83.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.018 -0.537 . . . . 72.4 111.071 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 93' ' ' LYS . 84.0 mt -64.08 -32.03 73.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.358 -0.383 . . . . 72.31 110.882 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.94 -22.98 66.07 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.338 -0.392 . . . . 64.42 111.712 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 27' ' ' MET . 66.3 t80 -91.68 -56.87 2.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.113 0.482 . . . . 63.35 110.304 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.7 mtm -59.78 -46.01 90.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.971 0.73 . . . . 74.24 112.971 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.48 -42.09 98.58 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.025 -0.422 . . . . 52.02 111.462 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.08 -38.28 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 121.025 -0.27 . . . . 74.53 111.324 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 23' ' ' PHE . 47.7 mtm -60.02 -49.08 79.06 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.093 0.473 . . . . 71.22 109.77 173.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -52.95 -48.66 67.19 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.769 -0.65 . . . . 73.51 111.08 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -71.36 -24.96 62.18 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.917 -0.583 . . . . 74.4 111.797 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.39 -34.35 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.056 0.455 . . . . 73.12 110.714 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -97.97 156.62 16.54 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.995 0.426 . . . . 71.43 110.365 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 75.9 mtm180 -84.75 163.61 45.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 122.118 -0.364 . . . . 71.22 110.553 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -65.93 31.49 0.11 Allowed 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 122.954 2.436 . . . . 53.14 114.634 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.34 34.23 0.23 Allowed Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.087 -0.577 . . . . 53.34 113.462 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 15.2 m-20 -125.75 161.08 28.13 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.347 0.594 . . . . 72.55 112.278 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.2 148.7 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.834 -0.621 . . . . 73.31 111.563 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -84.15 145.53 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 116.173 -0.467 . . . . 63.0 111.112 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.9 p -71.91 176.56 4.9 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.228 0.537 . . . . 60.14 112.308 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -61.2 -53.95 50.47 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.014 -0.539 . . . . 75.43 111.899 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.11 -55.37 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 116.269 -0.423 . . . . 64.23 111.561 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -44.56 66.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.042 0.449 . . . . 73.24 111.05 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.479 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.51 -49.91 69.33 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.179 -0.464 . . . . 74.22 113.28 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.55 -37.62 73.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.112 0.482 . . . . 72.25 111.146 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -59.99 -48.75 80.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.796 -0.638 . . . . 73.23 110.553 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.64 -37.79 79.63 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.05 -0.523 . . . . 33.05 111.81 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 42' ' ' GLY . 95.7 t -56.78 -47.51 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.942 0.401 . . . . 74.5 110.934 175.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 48.9 mm-40 -64.22 -48.63 75.09 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.429 -0.351 . . . . 72.31 111.495 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.97 64.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.302 0.572 . . . . 52.31 110.902 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' HG ' ' HB1' ' A' ' 55' ' ' ALA . 55.6 tp -64.67 -56.53 13.22 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.712 -0.676 . . . . 54.22 110.685 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.65 -21.24 38.7 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.475 0.917 . . . . 74.23 113.475 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.0 mmp_? -58.68 -17.08 19.52 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.947 0.403 . . . . 73.14 111.372 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -97.29 142.1 24.03 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 116.367 -0.379 . . . . 73.13 111.328 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.38 -34.76 65.02 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.575 2.183 . . . . 74.14 113.263 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.38 3.71 45.95 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.317 0.488 . . . . 71.14 112.317 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB1' ' HG ' ' A' ' 49' ' ' LEU . . . -59.51 -50.36 74.22 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.107 0.41 . . . . 72.13 112.107 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -46.9 -33.69 4.78 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.306 0.484 . . . . 62.12 112.306 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -60.58 -46.55 89.82 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.202 0.525 . . . . 72.05 111.419 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 33.6 mmtp -90.87 8.35 35.38 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.29 -0.413 . . . . 65.23 111.813 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 55' ' ' ALA . 79.3 mt -96.48 -55.71 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 120.808 0.337 . . . . 75.22 110.38 171.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.18 -127.67 27.32 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 116.049 -0.523 . . . . 61.5 113.794 176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HG2' ' OG1' ' A' ' 83' ' ' THR . 73.7 Cg_endo -71.64 -22.34 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.044 2.496 . . . . 74.22 113.676 -176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.51 175.33 28.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.665 -0.778 . . . . 73.1 113.708 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.573 HG22 HH22 ' A' ' 82' ' ' ARG . 94.6 t -97.24 114.31 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.984 0.421 . . . . 52.22 111.798 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -56.0 5.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 74.54 109.736 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -170.64 176.03 4.42 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.275 0.56 . . . . 73.24 111.451 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -119.34 149.45 41.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.809 -0.632 . . . . 72.2 109.765 170.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -136.29 134.66 38.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.001 0.429 . . . . 53.25 111.753 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -88.4 103.45 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.233 -0.44 . . . . 53.35 110.084 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 79.6 ttt180 -123.46 155.58 37.2 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.575 -0.284 . . . . 75.01 111.008 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 113.446 0.906 . . . . 64.34 113.446 -173.811 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.675 0.274 . . . . 72.14 110.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 99.6 m -146.13 144.43 29.97 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 111.969 0.359 . . . . 52.42 111.969 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -83.81 108.73 17.02 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.274 -0.421 . . . . 70.14 110.309 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.543 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 46.4 m95 -87.88 126.85 35.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.233 0.54 . . . . 75.24 112.247 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.541 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 60.1 mt -87.73 95.18 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.59 -0.732 . . . . 45.12 111.107 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.62 124.08 29.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.091 0.472 . . . . 63.11 111.078 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.573 HH22 HG22 ' A' ' 63' ' ' VAL . 5.7 mmp_? -93.76 147.21 23.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.385 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 61' ' ' PRO . 46.7 p -61.78 -21.8 64.88 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.45 -0.341 . . . . 55.41 111.691 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.44 -24.71 67.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.226 0.536 . . . . 73.54 111.41 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.43 -7.58 30.36 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 115.948 -0.569 . . . . 54.3 112.125 -171.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.8 t -83.28 176.03 9.45 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.622 0.369 . . . . 63.24 111.96 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.49 177.87 8.53 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.778 0.658 . . . . 72.42 112.778 -176.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 9.1 tp10 -169.68 155.46 5.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.586 -0.734 . . . . 70.02 110.466 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -133.08 112.53 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.034 0.445 . . . . 75.42 110.789 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.25 136.89 43.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.346 0.594 . . . . 74.43 111.796 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.2 p -78.01 88.16 4.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.917 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -48.4 -41.11 28.11 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.94 -0.573 . . . . 74.1 112.505 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' HA ' HD21 ' A' ' 21' ' ' LEU . 59.2 pttt . . . . . 0 CA--C 1.542 0.637 0 O-C-N 122.143 -0.348 . . . . 74.45 111.245 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo . . . . . 0 CA--C 1.541 0.838 0 CA-C-O 121.171 0.405 . . . . 74.45 112.785 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.5 mp -78.15 84.45 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.243 0.544 . . . . 74.03 110.677 -177.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -88.38 123.18 32.69 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.61 179.039 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 48' ' ' ALA . 68.0 mt -137.0 115.62 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 111.689 0.255 . . . . 74.21 111.689 178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.78 30.79 16.73 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.207 0.817 . . . . 74.11 113.207 173.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.04 23.08 46.53 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.887 -0.673 . . . . 42.45 112.057 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -128.08 95.93 4.32 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.924 0.392 . . . . 72.04 109.982 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 12.1 pt-20 -82.79 105.69 14.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.471 0.653 . . . . 73.25 111.749 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 77.1 m-85 -91.13 117.09 29.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.088 -0.505 . . . . 71.33 110.768 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 -0.47 4.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.113 0.783 . . . . 54.32 113.113 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -167.86 152.29 6.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.341 -0.224 . . . . 75.24 111.116 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 23.4 mmmt -51.79 -48.15 63.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 111.672 0.249 . . . . 62.4 111.672 175.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.71 70.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 120.769 0.319 . . . . 71.53 111.771 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.47 -41.69 90.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.211 0.529 . . . . 73.24 111.046 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.53 66.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.185 -0.461 . . . . 53.33 111.83 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 77.9 mt -61.95 -42.64 99.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.883 0.373 . . . . 70.21 111.515 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.387 -0.369 . . . . 75.41 111.489 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.57 -49.48 76.49 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.089 0.471 . . . . 65.45 110.634 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.8 mtt -58.9 -40.38 84.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.985 -0.552 . . . . 74.45 111.247 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -57.08 -48.71 77.91 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.444 -0.344 . . . . 72.21 111.251 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.2 t -56.58 -58.42 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 112.228 0.455 . . . . 73.31 112.228 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -63.47 -39.33 94.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.782 0.325 . . . . 72.44 111.331 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.25 -45.03 92.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.19 0.519 . . . . 75.14 111.374 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.554 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -74.11 -9.72 58.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.023 -0.535 . . . . 72.33 112.192 -177.141 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -67.11 -35.99 80.96 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.538 -0.541 . . . . 74.54 109.538 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.466 ' HB2' HG21 ' A' ' 68' ' ' VAL . 49.3 m-85 -93.85 154.75 17.56 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.011 -0.541 . . . . 74.04 111.454 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 34' ' ' GLY . 34.2 mtp180 -91.09 165.49 21.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.276 -0.42 . . . . 73.32 110.939 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.58 26.19 0.05 OUTLIER 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.102 2.534 . . . . 74.32 114.746 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -154.16 14.04 0.55 Allowed Glycine 0 CA--C 1.527 0.829 0 O-C-N 122.039 -0.413 . . . . 73.33 112.603 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 3.1 m-20 -94.64 160.66 14.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.511 0.672 . . . . 71.01 112.419 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mm -100.14 135.61 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.513 -0.767 . . . . 64.5 110.764 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 62.2 t -69.22 135.41 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 116.425 -0.352 . . . . 70.21 111.759 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -62.67 165.35 6.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.236 0.541 . . . . 61.45 112.185 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.7 m -59.85 -48.6 81.02 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.442 0.534 . . . . 74.21 112.442 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.45 -54.97 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.061 0.458 . . . . 74.25 111.458 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.37 -41.35 69.08 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.97 -0.559 . . . . 73.33 111.035 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.44 -44.41 98.06 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 116.044 -0.525 . . . . 65.21 112.545 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.13 69.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.052 0.453 . . . . 52.13 111.54 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.57 -48.07 76.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.269 0.557 . . . . 74.41 110.656 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.33 -37.07 79.47 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.864 -0.607 . . . . 61.0 111.867 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' GLY . 98.2 t -56.2 -51.68 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 120.709 0.29 . . . . 74.24 111.228 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.82 -45.88 92.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.042 0.449 . . . . 73.22 111.233 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' A' ' 9' ' ' ILE . . . -59.58 -29.93 68.3 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.093 -0.503 . . . . 43.31 111.775 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.94 -48.31 10.11 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.004 0.372 . . . . 75.52 112.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 46' ' ' VAL . 52.1 mtmt -57.86 -27.01 62.85 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.922 0.712 . . . . 63.54 112.922 -175.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -82.4 19.06 1.3 Allowed 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.2 0.524 . . . . 63.54 111.894 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -94.36 151.45 39.42 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 122.877 0.471 . . . . 75.31 111.227 172.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.25 -25.63 18.53 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.103 1.869 . . . . 71.5 111.151 168.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.85 -2.35 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.207 -0.906 . . . . 73.35 112.126 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.8 -45.61 40.51 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.314 0.857 . . . . 62.04 113.314 -173.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t -46.9 -50.12 19.25 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.77 0.655 . . . . 74.54 112.77 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -67.8 -30.42 69.84 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.211 0.529 . . . . 73.21 111.286 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -84.94 -7.12 59.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.009 -0.542 . . . . 72.21 111.771 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 75.4 mt -111.81 -60.34 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 112.064 0.394 . . . . 74.12 112.064 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.11 -113.36 5.7 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 114.304 0.481 . . . . 53.0 114.304 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 72.5 Cg_endo -75.38 -27.11 9.69 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.026 2.484 . . . . 63.14 114.52 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.43 176.19 21.65 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 120.43 -0.89 . . . . 44.31 113.889 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.809 HG22 HH12 ' A' ' 82' ' ' ARG . 29.4 t -90.99 117.78 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.246 0.462 . . . . 71.42 112.246 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 14.2 ttt180 -90.2 -60.8 1.83 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.814 0.34 . . . . 74.33 110.206 170.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.457 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.1 p-10 -171.54 -176.32 1.79 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.004 -0.544 . . . . 62.1 110.817 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.5 m-85 -125.56 154.62 41.91 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.436 -0.347 . . . . 72.43 110.307 173.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -128.97 147.36 50.85 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.872 0.368 . . . . 74.11 111.437 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 31' ' ' TYR . 95.7 t -103.19 119.62 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.879 0.371 . . . . 54.03 111.561 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 79.0 mtp180 -134.7 178.3 7.11 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.804 0.335 . . . . 74.51 111.019 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.971 0.415 . . . . 72.13 111.837 -179.478 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 120.859 0.361 . . . . 75.23 111.735 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.9 p -155.07 158.58 39.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.826 0.346 . . . . 65.22 111.279 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -94.83 131.15 41.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.121 0.486 . . . . 53.21 111.395 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.543 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 29.8 m95 -107.92 138.98 43.23 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.002 -0.545 . . . . 75.25 111.694 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.2 mt -94.82 112.24 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 115.789 -0.641 . . . . 72.23 112.044 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.05 117.2 33.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.924 0.393 . . . . 72.42 110.936 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.809 HH12 HG22 ' A' ' 63' ' ' VAL . 34.8 mmt180 -104.62 149.25 25.7 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.097 0.475 . . . . 72.22 112.125 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -55.84 -28.3 55.71 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.785 -0.643 . . . . 65.24 112.085 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.55 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 23.4 t70 -55.46 -33.53 63.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.326 -0.397 . . . . 43.44 111.845 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.9 -26.82 7.76 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.34 -0.457 . . . . 53.24 112.518 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 p -73.77 155.92 38.37 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.917 0.389 . . . . 73.31 111.488 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.48 41.99 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.254 0.549 . . . . 61.04 112.265 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -135.28 -171.77 2.9 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.994 -0.548 . . . . 72.43 110.722 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 79' ' ' TRP . 15.8 ptt180 -140.81 171.97 13.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.128 -0.323 . . . . 73.23 110.128 172.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.25 128.84 10.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.238 0.542 . . . . 73.44 111.833 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 m -85.41 95.42 9.25 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.044 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -53.14 -29.12 29.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.724 0.638 . . . . 64.32 112.724 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 112.693 0.627 . . . . 73.35 112.693 -179.668 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 CA--C 1.539 0.761 0 CA-C-O 120.779 0.241 . . . . 70.21 111.89 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.499 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -84.73 106.61 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 64.21 111.064 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 121.53 44.31 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.891 0.376 . . . . 61.45 110.46 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -131.98 118.22 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 116.432 -0.349 . . . . 72.14 111.564 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.9 24.67 14.72 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.615 0.598 . . . . 74.33 112.615 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.24 -6.66 61.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 74.25 112.887 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -95.19 108.79 20.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.538 -0.389 . . . . 74.22 110.544 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -83.58 129.32 34.96 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.194 0.521 . . . . 73.22 111.567 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 70.3 m-85 -122.65 136.01 54.76 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.367 -0.379 . . . . 72.24 111.43 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.34 82.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.12 0.415 . . . . 74.45 112.12 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.59 173.71 11.37 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.159 0.504 . . . . 75.24 111.575 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -58.23 -39.24 78.57 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.036 -0.529 . . . . 71.43 111.769 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -31.89 30.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.69 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.586 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 41.2 m-20 -65.66 -53.22 44.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.426 -0.352 . . . . 72.13 111.487 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.61 -42.97 89.41 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.011 0.434 . . . . 75.14 111.37 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.091 -0.504 . . . . 71.34 111.07 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.74 -46.66 88.65 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.795 0.331 . . . . 72.25 111.42 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.16 -57.34 13.27 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.489 -0.323 . . . . 71.11 110.709 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.701 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 73.7 mtm -55.61 -34.41 64.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.249 0.462 . . . . 73.32 112.249 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.81 -52.55 56.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.91 0.386 . . . . 74.11 111.231 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.0 t -61.46 -53.52 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.279 -0.419 . . . . 64.12 111.6 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.701 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.3 ptm -56.3 -38.42 71.22 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.8 0.333 . . . . 64.43 110.977 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.85 -47.48 83.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.948 0.404 . . . . 73.11 111.285 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 2.7 m-20 -75.67 -13.11 60.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.94 0.4 . . . . 73.23 111.334 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.06 -34.23 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.994 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -84.49 155.01 22.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.01 0.433 . . . . 75.05 110.544 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -87.8 161.35 44.77 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.648 -0.251 . . . . 74.32 110.331 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 59.1 Cg_endo -71.19 52.14 1.44 Allowed 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 122.674 2.249 . . . . 74.33 113.411 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.76 21.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.055 -0.52 . . . . 53.34 112.941 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -110.31 160.78 16.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.285 0.564 . . . . 72.53 112.403 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 67' ' ' GLU . 47.2 mm -91.61 137.57 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.63 -0.714 . . . . 64.02 110.313 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.33 140.19 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 120.939 0.4 . . . . 51.44 111.415 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -63.3 161.16 14.4 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.45 111.792 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.1 m -60.54 -48.76 80.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.892 0.33 . . . . 71.51 111.892 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.31 -51.48 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.139 0.495 . . . . 63.01 111.314 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -40.23 72.29 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.861 -0.609 . . . . 73.33 110.828 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.62 -42.49 99.69 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.017 -0.538 . . . . 65.12 112.601 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.67 -36.46 67.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.068 0.461 . . . . 41.22 111.33 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.44 -45.89 82.05 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.991 -0.55 . . . . 75.21 110.543 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.64 -38.09 88.9 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.18 -0.464 . . . . 60.52 112.057 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG22 HG11 ' A' ' 63' ' ' VAL . 91.0 t -59.26 -48.41 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.178 0.513 . . . . 61.25 110.668 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -61.84 -47.55 84.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.89 -0.596 . . . . 75.21 111.256 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.377 -0.374 . . . . 63.51 111.072 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.72 -44.11 94.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.249 -0.432 . . . . 62.35 111.236 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.79 -33.67 61.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.115 0.483 . . . . 65.0 111.4 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.73 34.91 0.4 Allowed 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 112.35 0.5 . . . . 75.22 112.35 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -122.59 145.49 45.09 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 122.627 0.371 . . . . 74.35 111.197 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -15.92 35.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.457 2.105 . . . . 70.24 112.165 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -100.88 13.88 33.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.013 -0.539 . . . . 50.41 111.234 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.85 -59.89 2.78 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.583 0.586 . . . . 65.45 112.583 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -48.81 -39.58 25.94 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.455 0.539 . . . . 64.42 112.455 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -71.91 -39.05 69.79 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.917 0.389 . . . . 62.43 111.881 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -87.0 -12.46 47.37 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.038 0.384 . . . . 74.3 112.038 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -93.69 -57.48 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 122.069 -0.394 . . . . 70.34 111.326 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.66 -125.5 37.11 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 121.398 -0.43 . . . . 53.34 113.079 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.79 -21.15 25.33 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.724 2.283 . . . . 65.0 113.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.13 169.85 16.76 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.758 -0.734 . . . . 74.43 113.71 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.488 HG22 HH22 ' A' ' 82' ' ' ARG . 61.2 t -91.09 124.77 43.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 111.867 0.321 . . . . 73.4 111.867 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 72.9 ttt180 -93.67 -65.88 0.96 Allowed 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.604 -0.271 . . . . 73.23 110.868 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 2.4 p-10 -158.08 -175.84 5.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.767 0.318 . . . . 53.31 111.604 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -138.25 129.59 27.52 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.523 -0.308 . . . . 74.52 111.411 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD13 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -99.59 145.34 27.65 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.914 0.387 . . . . 72.54 111.269 172.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.81 116.78 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.549 -0.296 . . . . 60.13 111.145 175.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' PRO . 53.5 mtt180 -136.3 -178.49 5.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.674 0.273 . . . . 73.43 110.941 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 60.2 p . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 121.083 0.468 . . . . 65.24 111.391 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.2 mt-30 . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.646 0.26 . . . . 55.52 110.762 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 41.9 t -160.54 146.08 14.83 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.007 0.432 . . . . 74.34 111.875 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.08 137.53 34.06 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.15 -0.477 . . . . 64.3 110.751 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -104.84 122.12 45.1 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.349 0.595 . . . . 74.02 111.726 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 ' NE ' ' A' ' 82' ' ' ARG . 51.9 mt -80.64 92.83 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.627 -0.715 . . . . 64.02 111.882 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.497 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.2 mm? -81.53 117.64 22.09 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.165 0.507 . . . . 71.53 111.009 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.488 HH22 HG22 ' A' ' 63' ' ' VAL . 5.0 mmp_? -86.22 158.23 19.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.064 -0.516 . . . . 74.41 111.237 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -64.83 -15.78 62.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.808 0.337 . . . . 73.01 111.11 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -63.71 -33.83 76.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.444 0.64 . . . . 73.12 110.709 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.8 -24.81 10.66 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 115.608 -0.724 . . . . 65.2 111.897 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 m -66.97 157.07 34.27 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.889 0.375 . . . . 53.43 111.618 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.497 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -119.5 -178.36 3.59 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.509 0.559 . . . . 74.22 112.509 179.163 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.56 166.39 8.24 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.26 -0.645 . . . . 75.4 109.26 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.446 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 3.1 ptm180 -138.52 134.86 34.47 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.725 -0.609 . . . . 63.54 111.497 176.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -124.37 113.74 18.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.192 0.52 . . . . 74.25 111.846 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.77 81.78 0.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.069 0.461 . . . . 72.35 110.601 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -52.86 -25.86 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.64 0.978 . . . . 64.41 113.64 -174.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 120.665 0.269 . . . . 65.22 111.595 179.286 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 CA--C 1.541 0.873 0 N-CA-C 113.627 0.587 . . . . 74.42 113.627 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.494 HG23 ' NH1' ' A' ' 51' ' ' ARG . 2.3 mp -68.8 94.09 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.031 0.443 . . . . 64.5 110.273 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 113.87 24.54 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.325 -0.398 . . . . 72.24 110.941 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -131.6 117.07 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.367 -0.378 . . . . 65.31 111.109 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.8 27.13 15.62 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.456 0.539 . . . . 73.25 112.456 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.2 63.29 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.468 -0.396 . . . . 74.44 113.142 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -99.33 109.53 22.13 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 122.516 -0.402 . . . . 75.55 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -91.98 109.17 20.51 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.077 0.465 . . . . 72.31 111.582 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -100.5 104.02 15.38 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.411 -0.359 . . . . 74.42 111.269 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.17 68.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.213 0.53 . . . . 65.12 111.396 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 9.1 tpp180 -110.49 130.3 55.59 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.264 -0.425 . . . . 41.03 111.06 177.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 21' ' ' LEU . 52.9 tptt -55.65 -41.55 73.75 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.96 0.41 . . . . 64.01 111.19 175.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.11 70.26 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.737 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 28.5 t0 -66.43 -42.11 88.19 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.296 0.569 . . . . 74.41 110.14 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 24' ' ' MET . . . -59.84 -48.7 80.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.941 -0.572 . . . . 73.12 111.075 173.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 17' ' ' LYS . 80.3 mt -60.26 -37.11 79.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.961 -0.563 . . . . 74.01 111.219 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.96 -61.68 2.45 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.049 -0.523 . . . . 60.1 110.993 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.3 -46.47 62.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.937 0.399 . . . . 74.41 111.626 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 66.6 mtt -57.4 -42.38 82.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.141 -0.481 . . . . 71.22 111.528 178.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 28' ' ' LEU . 52.0 tttp -82.5 -22.07 35.23 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.634 0.605 . . . . 72.23 112.634 -177.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.5 t -59.9 -47.29 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.898 -0.501 . . . . 71.4 110.699 175.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.41 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 25.5 ptt? -73.7 -36.21 65.24 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.379 -0.373 . . . . 70.24 111.102 175.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HB3' ' HA ' ' A' ' 25' ' ' LYS . 57.1 tp -56.79 -44.91 82.38 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.073 0.463 . . . . 75.32 111.548 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.3 -14.08 60.85 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.071 -0.513 . . . . 73.24 111.773 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -79.54 -33.85 41.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.938 0.399 . . . . 64.13 110.631 175.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -84.55 175.86 9.0 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.161 0.505 . . . . 64.02 111.266 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -119.99 155.34 55.47 Favored Pre-proline 0 N--CA 1.469 0.482 0 CA-C-N 116.295 -0.411 . . . . 75.31 111.099 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.23 75.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.76 2.307 . . . . 71.14 112.578 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.11 -10.66 0.76 Allowed Glycine 0 CA--C 1.528 0.874 0 CA-C-N 114.823 -1.081 . . . . 70.15 112.913 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.84 152.27 20.83 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.336 0.589 . . . . 74.32 112.192 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.28 144.51 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.829 -0.623 . . . . 73.21 111.586 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.69 145.35 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 116.479 -0.328 . . . . 74.4 111.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -64.92 162.13 17.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.041 0.448 . . . . 51.12 111.611 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.9 -42.07 99.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.885 0.374 . . . . 64.32 111.308 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.23 -54.3 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.031 0.443 . . . . 74.43 111.824 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 49.0 m-20 -71.8 -29.2 64.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.081 0.467 . . . . 73.04 111.031 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.69 -43.23 99.53 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.254 -0.498 . . . . 75.44 112.767 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.78 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.986 0.422 . . . . 64.31 111.514 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.4 -46.39 88.83 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.111 -0.495 . . . . 70.53 110.691 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.73 -39.47 94.18 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.961 -0.563 . . . . 65.12 111.532 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' A' ' 50' ' ' LYS . 61.4 t -58.41 -50.6 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 120.735 0.303 . . . . 70.11 110.919 177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -56.85 -48.16 78.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.115 0.483 . . . . 73.42 111.278 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -33.01 67.56 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.142 -0.481 . . . . 63.33 111.409 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 80' ' ' ILE . 56.6 tp -74.2 -44.47 53.19 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.293 -0.412 . . . . 72.13 111.588 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HE2' HG12 ' A' ' 46' ' ' VAL . 68.8 mttm -50.52 -49.31 56.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 64.13 112.224 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' NH1' HG23 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -80.2 37.8 0.39 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -173.749 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -134.4 150.48 74.01 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.634 0.374 . . . . 72.22 111.313 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.03 -19.32 68.78 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.477 2.118 . . . . 72.24 112.756 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.34 -5.65 56.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.26 -0.427 . . . . 70.55 111.959 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.54 -68.46 0.19 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.402 0.89 . . . . 73.2 113.402 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -51.31 -32.43 25.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.806 0.669 . . . . 41.32 112.806 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -77.23 -46.32 23.58 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.098 0.475 . . . . 55.12 111.59 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.686 ' HG2' ' HG2' ' A' ' 88' ' ' GLU . 56.1 mttp -87.1 -2.62 58.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.562 0.578 . . . . 72.13 112.562 -175.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -107.2 -52.98 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.995 0.426 . . . . 64.5 110.911 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.57 12.99 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.975 -0.631 . . . . 53.43 112.052 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -78.67 -40.93 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.443 2.095 . . . . 74.54 112.718 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.34 176.86 48.24 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.981 -0.628 . . . . 72.2 113.5 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.24 130.24 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.827 0.346 . . . . 62.41 111.375 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.76 -54.93 4.55 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 120.806 0.336 . . . . 73.31 110.141 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -168.22 -177.41 3.26 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.286 -0.416 . . . . 72.05 111.162 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -119.85 145.42 46.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.743 0.306 . . . . 72.33 111.277 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -126.86 134.75 50.44 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.882 0.372 . . . . 73.34 111.534 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.9 t -91.09 106.27 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.701 0.286 . . . . 74.34 111.232 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -119.77 154.2 34.56 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.232 -0.292 . . . . 72.31 110.756 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 120.816 0.341 . . . . 73.2 111.108 178.468 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.521 ' HB2' HD21 ' A' ' 28' ' ' LEU . 43.8 mt-30 . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 120.554 0.216 . . . . 62.53 110.658 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -141.8 139.83 32.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.956 0.408 . . . . 73.34 111.697 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -82.87 115.96 21.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.207 -0.451 . . . . 72.42 111.261 176.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -95.97 129.11 43.33 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.343 0.592 . . . . 74.32 111.53 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 49' ' ' LEU . 33.5 mt -90.58 109.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.599 -0.728 . . . . 64.31 111.353 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -82.18 92.63 6.92 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.167 0.508 . . . . 71.52 110.092 175.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.469 ' NH2' ' HB2' ' A' ' 88' ' ' GLU . 81.9 mtm180 -73.98 143.61 45.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.02 -0.536 . . . . 71.4 112.041 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.7 p -63.68 -13.76 45.83 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.237 0.542 . . . . 62.31 111.128 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.82 -27.54 51.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.565 -0.743 . . . . 62.5 111.562 172.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.84 22.76 11.63 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.311 -0.471 . . . . 74.25 112.138 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 m -151.18 136.45 17.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.626 0.371 . . . . 71.21 111.023 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -87.2 174.22 8.74 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 120.768 0.318 . . . . 73.35 111.802 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.686 ' HG2' ' HG2' ' A' ' 58' ' ' LYS . 8.6 tp10 -169.65 144.27 2.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.193 -0.458 . . . . 52.11 110.737 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -106.37 152.42 23.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.177 0.513 . . . . 75.32 111.968 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -137.34 123.83 20.84 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 73.35 110.785 174.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.1 m -80.38 86.19 5.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.109 0.481 . . . . 51.34 111.352 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -51.47 -36.02 42.47 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.793 0.664 . . . . 70.43 112.793 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.725 0.639 . . . . 73.52 112.725 -177.182 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo . . . . . 0 CA--C 1.541 0.867 0 N-CA-C 113.363 0.486 . . . . 55.23 113.363 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -78.03 96.56 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.42 -0.354 . . . . 62.14 110.54 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 32.3 tt0 -83.21 120.09 25.37 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.037 0.446 . . . . 73.24 111.362 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.8 mt -129.35 109.73 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.066 -0.516 . . . . 71.33 110.273 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.87 34.44 24.35 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.279 0.562 . . . . 75.11 111.197 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.3 -26.63 16.5 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 116.016 -0.538 . . . . 32.44 112.97 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -74.81 98.15 3.44 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 74.52 111.119 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 8.0 pt-20 -95.74 103.29 15.16 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.262 0.553 . . . . 51.32 112.099 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -90.77 126.51 36.03 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.316 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.45 -17.89 64.29 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.01 0.433 . . . . 64.21 112.092 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.2 ptt85 -144.79 142.47 30.01 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.087 -0.506 . . . . 71.33 111.256 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -39.32 90.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.982 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.58 68.37 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.131 0.419 . . . . 71.43 112.131 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 12.2 t70 -67.79 -40.71 83.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.19 0.519 . . . . 63.0 110.491 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.17 90.11 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.04 -0.527 . . . . 73.31 111.062 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.63 -48.04 82.67 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.908 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.82 -50.89 71.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.222 -0.444 . . . . 63.42 111.328 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -52.46 -55.36 22.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.923 0.392 . . . . 75.11 111.665 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.12 -31.0 71.98 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.081 0.4 . . . . 73.4 112.081 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HD2' HD23 ' A' ' 28' ' ' LEU . 26.9 tptp -70.99 -39.48 72.41 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.218 -0.301 . . . . 74.05 111.453 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' ALA . 70.8 t -50.1 -60.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.611 0.243 . . . . 73.32 111.604 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.603 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 24.8 ptt? -60.7 -37.61 82.26 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.752 0.31 . . . . 75.13 110.878 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' HD2' ' A' ' 25' ' ' LYS . 28.1 tp -57.99 -32.26 67.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.356 -0.383 . . . . 74.11 111.591 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 25' ' ' LYS . 67.6 m-80 -66.87 -35.06 79.16 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 122.174 -0.328 . . . . 50.43 111.353 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -79.36 -29.9 42.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.914 0.388 . . . . 75.43 111.933 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -86.08 111.41 20.3 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.875 0.369 . . . . 73.31 110.658 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -75.14 163.98 64.37 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 122.347 -0.22 . . . . 70.3 111.005 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.33 76.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.301 2.001 . . . . 74.34 111.448 171.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.39 -11.78 0.26 Allowed Glycine 0 CA--C 1.528 0.897 0 CA-C-N 114.324 -1.307 . . . . 63.42 112.832 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.43 147.83 27.62 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.348 0.594 . . . . 73.31 112.439 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -92.61 136.91 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.615 -0.721 . . . . 61.3 110.318 171.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.22 142.23 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.44 -0.346 . . . . 75.41 111.127 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.9 p -63.77 171.05 2.93 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.295 0.569 . . . . 72.24 112.136 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.4 m -68.93 -37.33 78.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.055 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.6 t -65.22 -59.57 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.906 0.384 . . . . 65.55 111.175 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 48.2 m-20 -63.28 -36.85 85.03 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.203 0.525 . . . . 73.45 110.819 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -60.81 -41.5 99.18 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 116.069 -0.514 . . . . 63.1 112.907 176.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.86 80.19 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.137 0.494 . . . . 71.34 111.129 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.1 -49.13 78.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.877 -0.601 . . . . 72.25 110.709 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.26 -39.97 80.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.126 -0.488 . . . . 53.21 111.998 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 42' ' ' GLY . 95.4 t -57.16 -52.21 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 120.728 0.299 . . . . 73.11 111.141 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.97 -37.53 87.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 111.923 0.342 . . . . 64.32 111.923 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.72 -34.59 76.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.234 0.54 . . . . 72.1 111.066 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.619 HD22 HD13 ' A' ' 80' ' ' ILE . 56.4 tp -74.18 -51.34 15.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.343 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -50.43 -31.8 16.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.367 0.877 . . . . 62.43 113.367 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -84.55 24.64 0.98 Allowed 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.992 -0.442 . . . . 72.32 112.096 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -107.21 149.46 38.71 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 122.826 0.45 . . . . 74.31 111.066 172.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.77 -25.6 28.38 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.256 1.971 . . . . 64.52 111.977 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.13 -1.49 57.93 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.0 -0.546 . . . . 75.0 111.894 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -50.02 -55.29 15.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.544 0.572 . . . . 75.21 112.544 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -47.7 -47.58 29.82 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.546 0.572 . . . . 65.34 112.546 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.0 m -70.56 -34.23 71.99 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.09 0.472 . . . . 72.34 111.301 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 12.4 tppt? -75.46 -28.95 59.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.93 -0.577 . . . . 72.13 111.293 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.455 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 79.5 mt -81.91 -41.33 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.487 -0.324 . . . . 74.43 111.409 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.39 19.69 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 114.065 0.386 . . . . 63.25 114.065 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.527 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 94.7 Cg_endo -75.05 -20.74 16.46 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.734 2.289 . . . . 64.45 114.056 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.58 161.77 10.17 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.727 -0.749 . . . . 33.44 113.502 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.574 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 53.1 t -84.64 112.77 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 120.939 0.399 . . . . 75.35 111.864 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -91.86 -61.0 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.7 0.286 . . . . 54.34 110.933 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -170.01 -175.3 1.99 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.006 0.432 . . . . 72.3 111.402 175.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.42 134.18 51.06 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.005 -0.543 . . . . 65.24 110.339 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -128.65 137.1 51.47 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.854 0.359 . . . . 61.45 111.138 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.42 136.48 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.589 0.588 . . . . 73.22 112.589 -176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.506 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 36.0 ttt180 -146.21 152.7 39.64 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.742 -0.663 . . . . 73.22 109.612 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.473 0.711 0 O-C-N 121.991 -0.443 . . . . 71.44 111.435 -179.151 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 120.89 0.376 . . . . 70.3 111.728 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' A' ' 89' ' ' ARG . 46.3 t -158.75 148.15 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.845 0.355 . . . . 73.32 111.37 175.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -83.38 118.31 23.62 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.391 -0.368 . . . . 73.43 111.365 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 15.7 m95 -93.88 134.66 36.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.249 0.547 . . . . 72.14 111.243 175.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.619 HD13 HD22 ' A' ' 49' ' ' LEU . 65.7 mt -92.47 109.66 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.783 -0.644 . . . . 74.33 112.23 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.12 127.21 34.15 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.336 0.589 . . . . 74.34 111.514 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.574 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 5.2 mmp_? -100.09 154.34 18.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.858 -0.61 . . . . 71.42 111.159 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p -54.55 -43.41 71.98 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.257 0.465 . . . . 45.12 112.257 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 0.7 OUTLIER -70.9 10.83 0.47 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.247 0.832 . . . . 75.04 113.247 178.331 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.1 51.45 10.2 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.987 -0.625 . . . . 42.52 113.3 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 t -128.32 138.11 52.24 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.225 -0.287 . . . . 72.12 110.225 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -127.92 121.33 29.67 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.54 0.686 . . . . 72.23 112.341 -177.015 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -145.09 141.15 28.56 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.11 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.571 ' HD2' ' SG ' ' A' ' 77' ' ' CYS . 50.4 ptt85 -97.38 -178.83 4.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.525 0.678 . . . . 75.32 112.106 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -138.75 121.36 16.27 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.417 -0.81 . . . . 74.34 110.191 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.0 m -68.56 75.25 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.353 0.597 . . . . 71.13 111.428 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -56.66 -24.5 49.02 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.69 -0.686 . . . . 75.02 112.392 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.8 pttt . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.447 0.536 . . . . 72.42 112.447 -178.503 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 CA--C 1.538 0.713 0 CA-C-O 120.654 0.189 . . . . 72.25 111.696 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 3.0 mp -67.27 90.72 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.06 0.457 . . . . 64.32 110.49 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.7 tm-20 -102.37 110.11 21.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.555 . . . . 74.1 111.096 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.0 mt -125.22 121.61 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.767 -0.652 . . . . 71.11 111.004 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.9 26.68 15.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.339 0.496 . . . . 72.14 112.339 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.87 -0.22 69.49 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.294 -0.479 . . . . 51.13 113.28 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -103.52 103.43 13.39 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.623 -0.339 . . . . 75.21 110.501 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 11.3 pt-20 -89.33 141.12 28.82 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.248 0.547 . . . . 75.42 111.653 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 90.2 m-85 -126.27 123.15 37.47 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.017 -0.538 . . . . 73.21 111.112 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -23.19 66.85 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.263 0.468 . . . . 73.14 112.263 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -147.35 143.09 27.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.528 -0.306 . . . . 71.22 110.601 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -39.58 79.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.911 0.386 . . . . 73.2 111.342 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.98 -23.49 61.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.162 0.43 . . . . 74.21 112.162 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.2 -35.89 48.02 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.066 0.46 . . . . 61.04 110.838 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 93.02 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.121 -0.49 . . . . 43.32 111.289 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 93' ' ' LYS . 70.7 mt -56.42 -42.6 78.32 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.26 -0.427 . . . . 75.21 111.131 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.66 -49.87 75.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.991 -0.549 . . . . 61.24 111.279 177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.35 -48.47 74.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.931 0.396 . . . . 51.23 111.398 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.0 mtt -58.0 -40.73 81.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.304 -0.407 . . . . 45.11 111.218 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -64.2 -45.94 86.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.839 0.352 . . . . 70.04 110.465 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.1 t -55.67 -52.96 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 111.906 0.336 . . . . 71.12 111.906 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.09 -28.06 67.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.087 -0.383 . . . . 74.3 111.22 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' A' ' 76' ' ' GLN . 47.8 tp -69.85 -18.42 63.43 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.098 0.475 . . . . 73.34 111.037 174.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -94.24 -29.8 14.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.037 0.446 . . . . 65.25 110.853 172.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -60.8 -38.87 86.85 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.312 0.577 . . . . 74.23 110.399 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.96 115.09 28.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 73.4 110.471 172.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' HB2' ' OD1' ' A' ' 35' ' ' ASP . 48.8 mtm180 -63.52 160.67 41.16 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.305 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HA ' HG12 ' A' ' 68' ' ' VAL . 37.5 Cg_endo -65.12 25.29 0.08 OUTLIER 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 122.778 2.319 . . . . 73.34 114.164 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -152.37 24.89 0.87 Allowed Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.689 -0.291 . . . . 63.33 112.616 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -118.05 161.77 19.28 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.353 0.597 . . . . 72.11 112.209 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -97.56 132.85 41.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.654 -0.703 . . . . 74.32 111.153 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 55.9 t -72.32 128.0 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 116.451 -0.341 . . . . 62.3 111.042 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.4 t -72.71 178.35 4.21 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.981 0.42 . . . . 64.52 112.043 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.5 m -60.08 -48.44 81.72 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.945 0.72 . . . . 64.2 112.945 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.25 -59.27 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.003 0.43 . . . . 74.52 111.954 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.48 -38.57 87.78 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.054 0.454 . . . . 73.42 111.002 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.34 -42.98 99.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.118 -0.492 . . . . 42.24 112.912 177.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.61 80.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.866 0.365 . . . . 75.13 111.287 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.26 -40.94 83.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.095 0.474 . . . . 62.22 110.494 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.85 -41.94 82.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.828 -0.624 . . . . 64.22 111.329 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.476 HG12 ' HE2' ' A' ' 50' ' ' LYS . 97.5 t -57.26 -47.7 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.928 0.394 . . . . 74.13 111.201 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.42 -43.7 89.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.108 0.48 . . . . 71.24 110.688 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.45 66.19 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.045 -0.525 . . . . 32.24 111.456 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.62 -48.15 12.11 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.277 -0.419 . . . . 63.43 111.091 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HE2' HG12 ' A' ' 46' ' ' VAL . 68.0 mttm -53.84 -28.26 34.67 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.155 0.798 . . . . 71.5 113.155 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -70.58 -14.33 62.45 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.092 0.405 . . . . 43.42 112.092 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -91.5 148.33 37.23 Favored Pre-proline 0 N--CA 1.474 0.775 0 N-CA-C 111.826 0.306 . . . . 70.14 111.826 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.67 -22.76 27.46 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.251 1.967 . . . . 70.44 112.554 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.85 7.64 42.96 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.246 -0.434 . . . . 65.53 111.711 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.47 -53.84 26.65 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.02 0.748 . . . . 52.21 113.02 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -51.21 -33.41 27.56 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.902 0.704 . . . . 75.54 112.902 -175.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.1 m -73.87 -36.18 64.8 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.039 0.447 . . . . 70.2 111.871 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -83.59 -18.03 39.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.808 0.337 . . . . 72.5 111.395 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -82.95 -41.61 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.08 0.467 . . . . 65.14 110.521 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.47 -134.9 41.94 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 116.041 -0.527 . . . . 75.12 112.966 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.73 2.1 8.79 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.645 2.23 . . . . 60.43 113.195 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.6 152.16 5.63 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 121.211 -0.518 . . . . 42.05 113.116 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -94.72 129.19 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.121 0.486 . . . . 73.32 111.318 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.415 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 44.3 ttm180 -91.24 -55.4 3.54 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.799 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.415 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.4 p-10 -168.01 -179.45 4.15 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.927 0.394 . . . . 75.3 111.053 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.3 m-85 -119.34 149.27 42.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.801 0.334 . . . . 74.44 110.842 176.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.68 146.48 50.86 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.868 0.366 . . . . 74.22 111.169 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 33' ' ' PRO . 98.5 t -102.45 125.54 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.001 0.429 . . . . 64.32 111.235 177.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 62.0 ttt180 -146.08 148.94 33.17 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.456 -0.338 . . . . 75.01 111.178 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 77.9 p . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 121.19 0.519 . . . . 72.55 112.317 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 121.169 0.509 . . . . 74.01 111.362 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.2 m -142.56 154.26 44.29 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.986 -0.552 . . . . 53.45 110.435 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -89.62 117.43 28.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.039 0.447 . . . . 74.23 111.363 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 31.8 m95 -94.79 128.47 41.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.884 -0.598 . . . . 63.23 111.749 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.405 HG12 ' CE2' ' A' ' 66' ' ' PHE . 56.0 mt -89.99 109.98 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.901 0.381 . . . . 72.02 111.53 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.7 mm? -83.95 96.41 8.83 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.859 0.361 . . . . 60.23 110.428 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -79.34 148.4 32.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.585 -0.28 . . . . 73.53 111.407 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -58.4 -25.77 62.49 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.002 0.43 . . . . 74.4 111.254 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.02 -39.11 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.758 -0.655 . . . . 64.32 111.536 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.11 -30.84 6.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.932 -0.576 . . . . 34.23 112.518 -175.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.6 m -78.44 107.0 10.76 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 122.653 -0.322 . . . . 72.45 111.388 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.585 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.65 138.07 36.38 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.066 0.46 . . . . 73.24 111.671 178.386 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -136.95 131.63 33.28 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.904 0.383 . . . . 73.01 110.871 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -97.89 157.25 16.2 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.179 0.437 . . . . 71.23 112.179 -175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -132.89 141.5 48.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.961 0.41 . . . . 71.51 111.021 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.71 -16.01 55.38 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.341 0.867 . . . . 70.12 113.341 -173.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 p90 57.77 -61.11 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.91 1.284 . . . . 64.1 113.944 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HA ' HD22 ' A' ' 21' ' ' LEU . 22.1 ptmt . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 112.76 0.652 . . . . 72.54 112.76 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 CA--C 1.539 0.764 0 CA-C-O 121.123 0.384 . . . . 74.51 112.437 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.1 mp -78.07 96.29 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.892 0.377 . . . . 74.12 110.686 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -92.8 120.45 33.18 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.82 0.343 . . . . 75.42 111.47 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -132.93 115.02 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.556 -0.293 . . . . 65.13 110.993 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.44 31.38 20.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.526 0.565 . . . . 70.05 112.526 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.81 8.09 80.23 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.041 -0.6 . . . . 51.23 113.063 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -107.16 106.15 16.49 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.935 -0.394 . . . . 71.34 109.935 175.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -89.69 114.41 26.06 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.409 0.623 . . . . 54.43 111.414 -179.051 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 92.5 m-85 -96.45 131.71 42.75 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.29 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.6 57.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.02 0.748 . . . . 73.24 113.02 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HG2' ' HB2' ' A' ' 19' ' ' ASP . 23.2 ptt-85 -165.27 160.39 18.3 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.371 0.268 . . . . 72.53 110.448 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.6 tmtt? -59.15 -42.05 89.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.782 0.325 . . . . 65.45 110.852 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -24.95 67.49 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.228 -0.442 . . . . 65.31 111.77 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 38.4 t0 -71.21 -43.21 67.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.202 0.525 . . . . 63.31 109.976 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.041 -0.527 . . . . 61.21 111.042 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 78.7 mt -64.0 -39.47 94.19 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.128 -0.487 . . . . 73.45 110.993 177.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -60.17 -45.34 93.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.877 0.37 . . . . 75.52 111.299 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 27' ' ' MET . 71.9 t80 -58.38 -59.99 4.49 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.321 -0.4 . . . . 63.03 111.093 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtm -56.17 -29.18 60.48 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.114 0.413 . . . . 71.45 112.114 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -47.44 73.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.377 -0.202 . . . . 62.23 111.255 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 22' ' ' ALA . 88.9 t -56.52 -55.03 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.003 0.43 . . . . 65.42 111.384 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 13.5 ptm -60.93 -37.21 81.53 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.222 -0.445 . . . . 73.3 111.717 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD21 ' O ' ' A' ' 76' ' ' GLN . 47.7 tp -62.0 -40.19 94.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.97 0.415 . . . . 72.01 111.48 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -66.85 -31.28 71.79 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.867 0.365 . . . . 74.43 111.399 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.35 -33.62 75.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.028 -0.533 . . . . 74.41 112.128 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 79.9 m-85 -100.47 141.58 33.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.322 0.582 . . . . 75.33 112.327 -177.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -86.26 166.49 28.12 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.724 -0.671 . . . . 73.04 110.505 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 25.0 Cg_exo -62.24 72.76 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.516 2.144 . . . . 62.21 112.366 173.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.1 -15.24 0.23 Allowed Glycine 0 CA--C 1.529 0.922 0 CA-C-N 115.369 -0.832 . . . . 65.33 113.351 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 54.6 m-20 -79.12 144.11 34.85 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.49 0.662 . . . . 71.2 112.006 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -89.13 138.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.64 -0.709 . . . . 73.31 111.054 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.21 142.65 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.222 -0.445 . . . . 70.42 110.673 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -76.57 177.05 7.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.228 0.537 . . . . 53.44 112.099 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.9 m -65.7 -28.8 69.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.132 -0.486 . . . . 44.12 111.35 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -73.34 -68.5 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.383 -0.371 . . . . 64.42 111.374 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -28.71 65.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.769 0.318 . . . . 64.31 111.481 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -55.96 -47.23 81.28 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 121.151 -0.547 . . . . 54.5 112.785 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.73 98.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.992 0.425 . . . . 64.14 111.124 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -54.72 -49.1 71.58 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.854 -0.612 . . . . 43.12 111.03 175.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.5 mt -61.52 -39.12 89.86 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.128 -0.487 . . . . 72.32 111.991 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' GLY . 84.9 t -60.22 -47.14 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.719 0.295 . . . . 55.43 111.364 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.7 -45.1 91.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.874 0.369 . . . . 72.21 111.258 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.95 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.184 0.516 . . . . 70.5 111.025 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.42 -60.84 2.38 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.519 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -51.57 -32.64 29.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.112 1.153 . . . . 73.55 114.112 -172.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.28 15.45 0.33 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.886 -0.509 . . . . 71.31 112.325 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -112.9 137.95 22.02 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 122.662 0.385 . . . . 74.43 110.358 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.75 -34.51 98.31 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.656 2.237 . . . . 74.31 113.228 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.19 -5.94 59.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.413 0.523 . . . . 55.44 112.413 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -53.62 -45.28 70.06 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.76 0.652 . . . . 61.31 112.76 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -50.61 -35.67 31.42 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.651 0.611 . . . . 73.35 112.651 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -63.89 -22.04 66.73 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.973 0.416 . . . . 63.24 111.802 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 41.3 mttm -113.55 15.07 19.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.369 0.604 . . . . 64.44 111.329 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.491 ' HA ' HH11 ' A' ' 82' ' ' ARG . 74.9 mt -104.75 -50.05 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.144 -0.48 . . . . 24.1 110.007 171.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.99 -111.51 3.63 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 116.076 -0.511 . . . . 72.44 113.725 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.84 -31.87 6.13 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.491 2.127 . . . . 43.11 112.987 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.98 165.97 14.73 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.655 -0.783 . . . . 71.51 114.129 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.53 HG13 ' NH2' ' A' ' 82' ' ' ARG . 68.6 t -87.78 120.65 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 122.634 0.373 . . . . 73.23 111.307 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HG2' HD22 ' A' ' 65' ' ' ASN . 73.8 ttt180 -90.38 -46.87 8.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.01 0.433 . . . . 71.03 110.662 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 6.5 p30 -174.58 -169.7 0.45 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.958 -0.564 . . . . 71.11 110.849 175.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.25 139.98 47.24 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.511 0.324 . . . . 75.31 110.66 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -117.46 151.66 36.62 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.981 0.42 . . . . 73.43 110.996 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 31' ' ' TYR . 83.3 t -103.47 116.51 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.429 -0.35 . . . . 74.3 110.722 176.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -132.61 153.55 50.93 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 122.383 -0.198 . . . . 62.24 111.512 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 114.541 1.311 . . . . 61.53 114.541 -171.535 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 120.921 0.391 . . . . 65.21 110.815 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 96.7 m -137.27 153.69 50.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.345 -0.389 . . . . 52.31 110.645 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.02 117.7 24.15 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.099 0.476 . . . . 74.21 110.598 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 29.9 m95 -95.61 137.05 35.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.886 0.85 . . . . 73.21 112.652 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.4 mt -81.82 91.02 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.594 -1.185 . . . . 70.42 111.889 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.4 mm? -81.66 117.04 21.69 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.158 0.504 . . . . 75.22 110.885 175.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.533 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -102.36 149.98 23.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.967 0.413 . . . . 71.01 111.968 -178.564 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.2 p -60.83 -19.52 59.96 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.178 0.514 . . . . 74.41 110.874 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.74 -50.55 60.37 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.602 -0.726 . . . . 75.03 111.427 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.6 -32.92 2.41 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.028 -0.533 . . . . 75.05 112.58 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.9 p -86.17 169.63 12.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.037 0.446 . . . . 75.22 111.495 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.586 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -133.73 137.94 45.52 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.281 0.562 . . . . 72.45 112.002 177.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.19 -171.74 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.379 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -141.94 139.11 32.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.076 -0.39 . . . . 73.32 111.561 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -131.7 128.76 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.335 0.588 . . . . 73.12 110.763 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.5 p -94.29 105.55 17.54 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.404 0.621 . . . . 73.1 111.084 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -54.55 -23.34 16.21 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.289 0.848 . . . . 72.22 113.289 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 pttp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.859 0.361 . . . . 73.31 111.517 179.48 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 CA--C 1.543 0.941 0 N-CA-C 113.45 0.519 . . . . 63.12 113.45 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.0 mp -93.08 102.5 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.237 -0.438 . . . . 61.52 111.341 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.99 111.74 22.7 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.042 0.449 . . . . 74.01 110.07 177.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.39 116.06 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 116.144 -0.48 . . . . 64.24 111.929 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.46 25.83 13.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.384 0.883 . . . . 42.01 113.384 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.08 -2.56 35.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.121 -0.561 . . . . 62.32 113.255 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -111.07 111.94 23.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.055 0.455 . . . . 53.12 111.186 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -92.42 133.13 36.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.01 -0.541 . . . . 55.12 111.471 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.508 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 73.2 m-85 -129.79 129.93 44.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.069 -0.514 . . . . 71.4 111.075 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.69 -37.22 76.53 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.146 0.425 . . . . 74.4 112.146 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.99 173.68 8.98 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.199 0.523 . . . . 70.21 111.635 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -43.23 65.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.184 -0.462 . . . . 54.2 111.22 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.15 -28.37 52.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.022 -0.536 . . . . 65.15 112.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.508 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 98.3 m-20 -61.45 -57.72 11.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.271 -0.422 . . . . 64.34 111.759 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.61 81.98 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.089 0.471 . . . . 34.43 111.345 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD22 ' HA ' ' A' ' 93' ' ' LYS . 80.6 mt -61.19 -42.71 99.06 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.016 -0.538 . . . . 71.13 111.19 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.345 -0.389 . . . . 51.1 111.295 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.09 -51.27 64.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.035 0.445 . . . . 64.21 111.275 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.49 -39.69 92.2 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.558 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -62.03 -37.02 83.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.923 0.342 . . . . 71.44 111.923 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 22' ' ' ALA . 89.2 t -61.38 -60.41 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.715 0.293 . . . . 63.15 111.311 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.413 ' O ' ' HD2' ' A' ' 31' ' ' TYR . 26.9 ptt? -62.33 -32.6 73.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.738 0.304 . . . . 72.11 111.347 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.77 -46.41 81.49 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.072 0.463 . . . . 54.32 110.99 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -80.77 -3.2 50.07 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.824 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.6 tmt_? -83.68 -44.09 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.735 -0.468 . . . . 74.35 109.735 174.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.549 ' HB2' HG21 ' A' ' 68' ' ' VAL . 94.1 m-85 -80.77 144.48 32.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.012 0.434 . . . . 75.13 110.889 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 47.0 mtm180 -96.89 163.47 20.08 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.66 -0.245 . . . . 74.32 110.666 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 45.3 Cg_exo -56.69 76.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.636 2.224 . . . . 64.24 113.083 177.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 155.08 -21.0 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 CA-C-N 115.274 -0.875 . . . . 61.01 113.81 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.05 142.96 41.65 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.228 0.537 . . . . 34.24 111.936 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -90.5 132.83 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.979 -0.555 . . . . 75.11 111.344 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.18 140.04 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 73.11 111.587 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -66.39 169.36 7.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.068 0.461 . . . . 73.02 112.1 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -64.87 -51.04 64.17 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.192 -0.458 . . . . 73.24 112.194 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.55 -49.81 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 121.091 0.472 . . . . 64.23 111.137 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.54 -45.63 69.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.966 -0.561 . . . . 72.41 111.128 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -63.89 -42.19 98.48 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 115.986 -0.552 . . . . 73.22 113.048 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.75 74.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.05 0.453 . . . . 71.13 111.117 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.04 -45.97 91.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.129 -0.487 . . . . 62.24 110.294 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.1 -38.24 88.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.941 -0.572 . . . . 72.5 111.862 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' GLY . 89.7 t -62.06 -51.19 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 120.732 0.301 . . . . 70.43 111.189 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.27 -38.51 89.59 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.879 0.371 . . . . 55.3 111.099 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.45 80.81 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.171 0.51 . . . . 75.35 111.144 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.99 -42.96 75.82 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.035 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -55.1 -29.7 58.17 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.118 0.784 . . . . 62.02 113.118 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -86.89 22.13 2.08 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.891 -0.505 . . . . 74.41 111.725 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -116.54 143.63 31.63 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 122.676 0.39 . . . . 62.4 110.163 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.56 -47.18 26.95 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.536 2.157 . . . . 73.13 113.583 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.46 15.87 3.45 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.427 0.528 . . . . 50.41 112.427 -176.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.8 -65.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.242 0.46 . . . . 43.33 112.242 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -52.19 -36.68 52.56 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.269 0.47 . . . . 55.51 112.269 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.5 m -65.57 -29.69 70.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.791 0.329 . . . . 53.12 111.652 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.544 ' HD2' ' HG2' ' A' ' 88' ' ' GLU . 72.4 mmtt -99.47 -12.7 19.97 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.158 0.429 . . . . 73.21 112.158 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.9 mt -86.23 -45.99 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.991 0.424 . . . . 72.22 110.782 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.29 -114.8 6.83 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 116.14 -0.482 . . . . 61.15 113.071 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -76.46 -22.59 12.22 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.589 2.193 . . . . 61.44 112.92 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.83 159.72 8.97 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.279 -0.486 . . . . 61.15 113.245 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 126.89 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.972 0.415 . . . . 73.05 111.271 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.14 -53.67 5.36 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.007 0.432 . . . . 54.44 109.967 178.279 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -167.82 -173.31 2.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.992 0.425 . . . . 75.52 111.08 174.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -123.52 143.76 49.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.495 -0.32 . . . . 74.42 110.987 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -121.83 135.64 54.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.728 0.299 . . . . 71.33 110.621 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.549 HG21 ' HB2' ' A' ' 31' ' ' TYR . 86.9 t -91.94 121.54 42.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 64.45 111.947 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 87.3 mtt180 -137.04 -167.72 2.14 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.599 . . . . 74.22 110.625 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 121.028 0.442 . . . . 61.21 111.531 177.802 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.009 0.433 . . . . 73.11 111.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.0 t -144.18 149.42 36.42 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.048 0.452 . . . . 73.51 111.705 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -85.81 126.99 34.44 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.662 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.452 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 38.6 m95 -101.82 125.1 48.42 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.961 0.41 . . . . 62.44 111.127 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.46 105.8 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.167 -0.47 . . . . 72.45 111.533 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -85.96 101.07 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.143 0.497 . . . . 72.3 110.063 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 39.5 mtm180 -80.15 152.66 29.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 74.54 111.734 -176.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.1 p -61.04 -19.82 61.83 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.382 0.61 . . . . 73.41 110.85 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.21 -35.91 62.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.207 -0.906 . . . . 73.14 111.788 172.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.84 -24.03 10.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 62.31 112.794 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -92.71 163.36 13.78 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.415 0.626 . . . . 63.22 111.981 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.559 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.9 pt-20 -118.18 158.63 24.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.905 -0.588 . . . . 74.41 112.298 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.544 ' HG2' ' HD2' ' A' ' 58' ' ' LYS . 9.0 tp10 -139.9 162.96 33.93 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.019 -0.537 . . . . 72.54 110.711 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -130.8 130.69 44.0 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.755 0.312 . . . . 74.24 111.747 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -130.39 126.38 36.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.181 0.515 . . . . 75.12 111.713 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -74.41 92.07 2.29 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.95 0.405 . . . . 63.51 111.292 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -45.34 -40.57 7.99 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.838 1.051 . . . . 71.54 113.838 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.523 ' HA ' HD22 ' A' ' 21' ' ' LEU . 62.9 pttt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 113.572 0.953 . . . . 75.24 113.572 -172.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 CA--C 1.536 0.62 0 CA-C-O 120.741 0.226 . . . . 72.5 111.554 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -70.84 91.53 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.064 0.459 . . . . 72.1 110.917 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -95.9 113.5 25.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.792 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -129.67 120.4 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.528 -0.306 . . . . 63.32 111.446 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.6 31.28 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.838 0.681 . . . . 54.22 112.838 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.95 27.18 29.46 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.15 -0.548 . . . . 75.03 113.084 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -132.76 114.07 13.69 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.591 -0.359 . . . . 72.43 110.328 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 124.28 41.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.246 0.546 . . . . 50.4 111.855 -176.164 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.52 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 96.7 m-85 -115.97 149.63 38.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.97 0.414 . . . . 74.45 111.714 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.13 -25.12 37.16 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.672 0.619 . . . . 75.52 112.672 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 10.1 tpp180 -145.18 153.41 41.34 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.692 -0.231 . . . . 72.33 110.798 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 22.0 tptm -56.78 -44.92 82.32 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.876 -0.515 . . . . 74.52 111.058 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -23.37 67.3 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.301 -0.409 . . . . 60.03 111.944 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 25.8 t0 -69.1 -42.89 75.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.104 0.478 . . . . 73.45 110.541 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.89 95.4 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.147 0.499 . . . . 71.23 111.064 174.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 84.6 mt -60.8 -41.97 96.67 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.969 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.14 -47.01 86.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.222 -0.445 . . . . 65.01 111.44 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -55.7 -49.76 72.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.875 0.369 . . . . 73.43 111.195 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -60.37 -37.87 82.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.442 -0.344 . . . . 73.21 111.39 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.38 -38.67 91.83 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.803 0.335 . . . . 75.12 111.241 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 22' ' ' ALA . 80.3 t -57.9 -59.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.451 -0.34 . . . . 70.34 111.198 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.477 ' O ' ' HD1' ' A' ' 31' ' ' TYR . 27.0 ptt? -63.84 -31.15 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.857 -0.337 . . . . 65.21 111.24 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 HG13 ' A' ' 68' ' ' VAL . 52.4 tp -57.36 -44.34 84.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.105 0.479 . . . . 72.41 110.815 174.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -77.66 -16.6 58.41 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.131 -0.486 . . . . 75.32 111.508 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -70.15 -43.43 70.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.458 -0.337 . . . . 61.32 110.207 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.604 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 81.6 m-85 -89.03 157.97 18.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.963 0.411 . . . . 75.03 111.064 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.576 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 7.3 mpt_? -97.6 158.37 33.16 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-N 116.659 -0.246 . . . . 74.21 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.39 79.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.741 2.294 . . . . 65.24 112.659 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.09 -8.32 0.92 Allowed Glycine 0 CA--C 1.529 0.957 0 CA-C-N 114.472 -1.24 . . . . 74.0 113.062 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 18.4 m-20 -82.16 139.82 34.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.386 0.613 . . . . 73.54 111.87 -178.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -80.36 131.46 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.063 -0.517 . . . . 72.01 110.972 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.42 128.39 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 120.749 0.309 . . . . 72.32 110.957 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -63.53 169.78 3.62 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.59 0.589 . . . . 73.14 112.59 -175.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.0 m -53.99 -61.39 2.34 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.841 0.682 . . . . 63.14 112.841 -175.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.09 -49.4 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.027 0.442 . . . . 72.4 111.533 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.89 -44.91 70.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.87 -0.605 . . . . 74.41 111.343 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.533 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -67.22 -44.71 85.52 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.9 -0.591 . . . . 75.42 112.881 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.26 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.112 0.482 . . . . 41.03 111.267 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.32 -51.16 70.71 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.586 -0.734 . . . . 74.32 110.955 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.06 -36.99 78.54 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.009 -0.542 . . . . 63.31 112.062 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 42' ' ' GLY . 66.3 t -58.97 -50.69 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.856 0.36 . . . . 72.32 111.391 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.45 -39.97 92.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.953 0.406 . . . . 74.23 110.989 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.7 74.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.24 -0.436 . . . . 63.11 111.216 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.27 -44.51 71.75 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.15 -0.477 . . . . 70.52 111.25 177.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HE3' HG12 ' A' ' 46' ' ' VAL . 98.9 mttt -57.41 -24.01 52.88 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.219 0.452 . . . . 72.31 112.219 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -95.15 23.89 5.37 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.262 0.467 . . . . 74.43 112.262 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -100.14 149.82 36.35 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-N 116.59 -0.277 . . . . 64.33 110.959 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.87 -48.7 19.83 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.629 2.22 . . . . 53.35 112.6 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -104.33 66.67 0.82 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.361 0.601 . . . . 63.51 110.817 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.43 -37.08 25.97 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.953 175.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.1 t -50.64 -47.08 58.59 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.897 0.703 . . . . 75.0 112.897 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -22.16 44.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.989 0.366 . . . . 62.21 111.989 -175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -86.36 -23.53 26.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.835 0.35 . . . . 75.42 111.34 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -98.6 -69.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.904 0.383 . . . . 73.03 111.278 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.49 -114.69 4.53 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 121.255 -0.497 . . . . 73.33 112.638 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 49.1 Cg_endo -68.44 -35.71 17.25 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.445 2.097 . . . . 75.23 113.079 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.68 165.73 18.05 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.124 -0.56 . . . . 70.24 113.086 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 129.56 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 122.526 -0.396 . . . . 63.31 111.308 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -83.47 -52.21 6.7 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.356 -0.384 . . . . 72.31 110.09 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -175.13 178.3 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.918 0.389 . . . . 73.41 110.957 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.77 143.61 46.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.858 0.361 . . . . 72.15 110.718 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -127.81 127.68 43.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.822 0.344 . . . . 61.53 111.28 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 31' ' ' TYR . 88.0 t -76.3 102.31 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.298 0.57 . . . . 62.35 109.74 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.672 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 33.3 ttt180 -136.76 156.55 48.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.878 -0.601 . . . . 52.14 111.347 -167.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.857 0.688 . . . . 72.22 112.857 -174.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 CA--C 1.54 0.574 0 CA-C-O 120.831 0.348 . . . . 73.53 111.705 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -148.55 159.27 44.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.937 0.399 . . . . 74.3 111.162 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -87.36 115.3 24.68 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.916 0.389 . . . . 72.33 111.17 176.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.672 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 25.5 m95 -95.43 132.47 40.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.016 0.436 . . . . 73.03 111.49 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.08 112.08 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 116.042 -0.527 . . . . 71.3 111.403 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -88.19 124.38 33.77 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.58 -0.526 . . . . 54.11 109.58 172.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -106.42 146.09 30.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.056 0.455 . . . . 74.4 112.099 -174.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -66.21 -19.69 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.361 0.504 . . . . 72.15 112.361 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.563 ' HB3' ' HG3' ' A' ' 61' ' ' PRO . 3.1 p30 -75.72 -25.27 56.48 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.272 -0.268 . . . . 73.51 111.706 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.34 -9.19 8.33 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 121.062 -0.589 . . . . 64.54 113.959 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 m -89.55 152.57 21.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 117.367 0.584 . . . . 65.23 111.862 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.12 141.29 40.18 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.022 0.439 . . . . 74.42 111.545 175.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -145.61 -178.41 6.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.018 0.437 . . . . 73.43 111.216 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -129.4 133.41 47.35 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.318 -0.401 . . . . 75.1 110.686 173.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -107.42 125.07 50.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.174 0.511 . . . . 73.31 111.73 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.8 m -74.37 76.7 1.88 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.071 0.462 . . . . 72.13 111.38 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -55.16 -36.38 65.77 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.046 0.45 . . . . 75.2 111.949 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.6 pttt . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 112.693 0.627 . . . . 64.1 112.693 -178.831 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo . . . . . 0 CA--C 1.536 0.6 0 CA-C-O 120.896 0.29 . . . . 65.01 112.254 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.4 mp -71.99 93.63 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 120.986 0.422 . . . . 74.42 110.826 -175.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -105.76 109.13 20.98 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.002 0.429 . . . . 64.43 110.656 179.32 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.11 116.76 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 111.991 0.367 . . . . 73.12 111.991 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.06 23.2 12.44 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.054 0.761 . . . . 53.24 113.054 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.49 27.88 9.49 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.228 -0.511 . . . . 74.25 112.501 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 82.6 m-70 -137.64 106.04 5.8 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.418 0.287 . . . . 71.24 110.851 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.0 134.12 34.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.092 0.472 . . . . 72.41 111.772 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 94.4 m-85 -124.99 143.03 51.11 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.006 0.431 . . . . 72.3 111.365 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -40.13 72.18 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.579 0.585 . . . . 74.31 112.579 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.17 166.46 23.34 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.115 -0.366 . . . . 74.33 111.323 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -59.15 -46.46 88.31 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.996 0.427 . . . . 72.12 111.681 -175.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.2 -19.52 65.4 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.307 -0.406 . . . . 75.41 111.84 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 44.8 t0 -66.32 -41.4 89.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.206 0.527 . . . . 72.14 110.613 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.75 60.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.927 -0.579 . . . . 71.34 111.42 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.29 -36.15 81.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.373 -0.376 . . . . 62.1 111.358 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.2 -51.96 67.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.399 -0.364 . . . . 53.45 110.425 173.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -50.37 -47.85 55.97 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.986 -0.552 . . . . 61.33 111.408 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 62.9 mtt -58.29 -51.39 69.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.12 0.486 . . . . 51.44 111.313 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -64.89 -35.58 81.61 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.179 -0.464 . . . . 61.01 111.808 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 22' ' ' ALA . 70.1 t -66.44 -53.28 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 111.636 0.235 . . . . 72.53 111.636 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -65.66 -28.19 68.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 120.916 -0.313 . . . . 73.22 111.118 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -58.28 -53.35 59.24 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.078 0.466 . . . . 73.42 111.137 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.66 -9.51 50.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.684 0.624 . . . . 71.24 112.684 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 4.0 tmt_? -68.53 -36.33 78.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.162 0.506 . . . . 73.21 109.94 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' HB2' HG21 ' A' ' 68' ' ' VAL . 56.0 m-85 -93.71 166.41 12.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.911 -0.586 . . . . 70.35 110.678 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.559 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 2.7 mpt_? -103.05 159.35 29.56 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 109.681 -0.488 . . . . 71.15 109.681 174.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -63.14 23.24 0.05 OUTLIER 'Trans proline' 0 CA--C 1.553 1.437 0 C-N-CA 122.974 2.449 . . . . 72.22 115.004 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.99 11.35 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 122.054 -0.403 . . . . 62.24 112.691 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -105.85 161.28 14.57 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.581 0.705 . . . . 75.43 112.458 -177.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mm -97.85 141.39 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 115.493 -0.776 . . . . 72.12 110.647 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.74 140.4 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.517 -0.31 . . . . 71.04 111.278 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -62.39 166.12 5.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.083 0.468 . . . . 64.41 112.181 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -59.78 -52.94 63.3 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.175 -0.466 . . . . 75.21 112.255 -176.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.87 -53.24 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 121.172 0.51 . . . . 74.42 111.604 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.5 -45.64 69.74 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.92 -0.582 . . . . 72.14 111.18 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -64.14 -41.81 98.27 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 116.077 -0.511 . . . . 74.42 112.756 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.67 76.05 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.008 0.432 . . . . 63.24 111.287 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.62 -46.47 90.16 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.896 -0.593 . . . . 62.32 110.765 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.33 -41.72 97.49 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.041 -0.527 . . . . 73.1 111.896 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.49 HG12 ' HE3' ' A' ' 50' ' ' LYS . 64.9 t -57.52 -52.22 59.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-O 120.969 0.414 . . . . 72.43 111.105 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -65.69 -34.6 78.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.838 0.351 . . . . 74.12 111.265 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.8 97.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.194 0.521 . . . . 72.11 110.875 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 80' ' ' ILE . 67.9 tp -63.39 -43.39 97.73 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.954 -0.567 . . . . 73.31 110.654 174.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.5 mttt -61.19 -11.85 10.7 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.657 0.614 . . . . 73.45 112.657 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -77.04 0.42 21.39 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.976 0.417 . . . . 61.31 110.975 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -115.73 133.84 22.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.337 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.39 -13.15 31.08 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.235 1.957 . . . . 74.35 112.741 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.06 -2.79 58.89 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.86 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.78 70.2 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.19 0.441 . . . . 70.11 112.19 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -47.57 -34.08 7.28 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.587 0.588 . . . . 62.31 112.587 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -67.09 -44.74 79.25 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.012 0.434 . . . . 72.41 111.212 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.478 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 66.4 mttm -82.14 -26.49 33.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.167 -0.469 . . . . 65.03 112.12 -176.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.6 mt -83.04 -47.73 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 120.889 0.376 . . . . 63.02 111.426 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.22 -113.38 4.75 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.336 -0.459 . . . . 61.41 113.194 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.14 -26.88 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.473 2.115 . . . . 74.11 112.745 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.3 164.44 12.35 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.006 -0.616 . . . . 72.31 113.175 -178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.48 118.1 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.953 0.406 . . . . 74.33 111.145 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -68.8 -54.12 17.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.104 0.478 . . . . 73.33 110.544 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -174.54 -173.94 0.79 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.713 -0.676 . . . . 63.1 110.843 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 80' ' ' ILE . 70.4 m-85 -121.84 139.95 52.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.82 0.343 . . . . 62.15 111.178 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -112.26 136.87 51.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.853 0.359 . . . . 73.12 110.876 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.0 t -87.45 109.21 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.032 -0.358 . . . . 75.01 110.032 175.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -129.8 150.25 51.19 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.652 0.263 . . . . 63.14 111.025 -176.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 120.753 0.311 . . . . 40.53 110.834 178.162 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.099 0.476 . . . . 52.44 111.596 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.4 m -147.33 149.83 33.58 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.313 -0.403 . . . . 50.22 110.971 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -86.03 123.45 31.36 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.905 0.384 . . . . 73.21 111.83 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 53.4 m95 -104.55 128.63 52.57 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.207 0.527 . . . . 64.13 111.507 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.468 HG12 ' CE2' ' A' ' 66' ' ' PHE . 30.4 mt -85.44 103.5 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.74 -0.663 . . . . 71.12 111.376 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.82 111.01 16.88 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.962 -0.461 . . . . 51.33 110.229 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -83.48 149.52 26.58 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.863 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -67.79 -13.68 62.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.653 0.612 . . . . 73.01 112.653 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -78.62 -32.18 47.35 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 122.217 -0.302 . . . . 63.14 111.568 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.22 -8.4 5.08 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.099 -0.572 . . . . 70.13 113.699 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.9 t -90.54 147.86 23.08 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.556 -0.379 . . . . 64.4 111.851 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -107.18 109.35 21.15 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.485 0.659 . . . . 71.51 111.495 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' A' ' 58' ' ' LYS . 10.0 tp10 -95.04 170.41 9.43 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.341 -0.845 . . . . 74.43 110.581 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 13.0 ptm180 -146.41 165.44 29.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.886 -0.509 . . . . 73.31 111.366 173.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -151.23 141.61 22.44 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.055 0.455 . . . . 74.43 111.391 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -84.76 84.02 7.83 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.863 0.363 . . . . 63.53 110.924 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -51.84 -44.13 63.46 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.849 0.357 . . . . 63.51 111.914 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.403 ' H ' ' HG3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 113.122 0.786 . . . . 75.14 113.122 -177.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 CA-C-O 120.821 0.259 . . . . 73.53 111.56 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 2.4 mp -71.0 107.61 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.877 0.37 . . . . 71.34 111.121 -176.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 5.3 tm-20 -97.99 124.15 42.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.34 -0.391 . . . . 75.22 111.07 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.4 mt -137.46 109.6 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.403 -0.362 . . . . 75.13 110.584 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.67 30.3 19.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.465 0.543 . . . . 74.25 112.465 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.0 -4.03 65.11 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 121.141 -0.552 . . . . 41.43 113.21 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 66.5 m-70 -95.56 131.47 41.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 122.366 -0.491 . . . . 73.32 110.907 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.56 132.88 53.72 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.348 0.594 . . . . 73.34 111.274 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.558 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 76.2 m-85 -122.41 141.23 51.81 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.189 -0.459 . . . . 70.45 111.604 -178.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.25 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.271 0.471 . . . . 55.04 112.271 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 166.31 24.64 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.823 0.344 . . . . 73.44 111.55 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -53.83 -47.31 71.05 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.092 0.472 . . . . 72.13 111.468 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -26.45 68.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.117 -0.492 . . . . 73.13 112.223 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 43.5 t0 -65.89 -36.74 84.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.233 0.54 . . . . 71.21 110.578 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -46.85 52.57 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.107 -0.497 . . . . 55.03 111.495 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.56 -44.7 95.67 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.067 -0.515 . . . . 72.23 111.443 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.46 -38.56 87.69 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.27 -0.423 . . . . 64.12 111.553 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.05 -49.57 73.36 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.032 0.444 . . . . 73.21 110.955 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.08 -39.8 93.66 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.12 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.6 -44.42 93.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.464 -0.335 . . . . 71.52 111.038 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 22' ' ' ALA . 89.3 t -56.94 -57.67 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 111.726 0.269 . . . . 72.23 111.726 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -65.59 -34.2 77.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.886 -0.326 . . . . 64.52 111.296 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.42 -46.42 80.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.322 0.582 . . . . 63.32 110.611 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -76.67 -10.48 59.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.689 -0.687 . . . . 51.23 111.441 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -77.65 -41.76 37.18 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 120.891 0.377 . . . . 72.33 110.121 176.284 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.466 ' HB2' HG21 ' A' ' 68' ' ' VAL . 97.3 m-85 -80.88 170.07 16.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.105 0.479 . . . . 73.42 111.365 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 6.7 mpt_? -107.76 153.16 41.69 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 116.573 -0.285 . . . . 73.44 110.788 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.87 78.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.651 2.234 . . . . 65.22 112.405 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.35 -17.94 0.16 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 114.785 -1.098 . . . . 45.03 113.45 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -83.92 157.01 22.09 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.962 0.727 . . . . 54.2 112.962 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.455 HD12 ' ND2' ' A' ' 65' ' ' ASN . 51.0 mm -96.13 134.53 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.214 -0.903 . . . . 75.51 110.266 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.47 139.55 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 112.097 0.406 . . . . 73.43 112.097 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.6 t -56.23 165.03 1.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.537 0.569 . . . . 64.54 112.537 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 84.9 m -58.36 -56.27 24.24 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.488 0.551 . . . . 52.14 112.488 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.4 -48.38 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 120.957 0.408 . . . . 73.34 111.496 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.19 -35.46 80.4 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.174 0.511 . . . . 73.14 111.149 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -65.75 -41.96 95.48 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 116.113 -0.494 . . . . 34.51 112.345 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.06 74.6 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.12 0.486 . . . . 62.42 110.896 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.17 -47.7 82.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.95 -0.568 . . . . 74.44 110.526 173.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.35 -38.48 91.32 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.085 -0.507 . . . . 74.12 112.046 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 42' ' ' GLY . 98.3 t -55.79 -49.49 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.918 0.39 . . . . 64.11 110.994 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.96 -46.31 82.07 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.801 0.334 . . . . 75.22 111.492 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.478 -0.328 . . . . 75.3 111.477 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -78.48 -57.47 3.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.153 -0.476 . . . . 63.12 111.763 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -49.0 -31.06 6.84 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.999 0.74 . . . . 72.51 112.999 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -86.1 20.54 2.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.44 0.533 . . . . 72.23 112.44 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -111.9 140.94 23.91 Favored Pre-proline 0 N--CA 1.471 0.596 0 N-CA-C 110.157 -0.312 . . . . 74.43 110.157 170.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.82 -37.17 57.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 121.972 1.782 . . . . 72.13 111.502 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.83 54.15 3.01 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.746 -0.661 . . . . 74.35 111.226 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.51 -40.14 1.8 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.36 0.504 . . . . 74.53 112.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -44.48 -48.58 10.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.544 0.942 . . . . 73.43 113.544 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.1 p -74.31 -26.58 60.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.013 0.435 . . . . 74.43 111.556 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -78.16 -30.17 49.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.211 -0.45 . . . . 71.13 111.162 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -79.36 -48.89 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 71.22 111.177 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.71 -128.29 32.05 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 121.021 -0.609 . . . . 51.34 112.786 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.95 -11.33 23.52 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.516 2.144 . . . . 72.33 113.038 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.33 164.4 10.93 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.776 -0.726 . . . . 64.51 113.913 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG11 ' CE2' ' A' ' 66' ' ' PHE . 69.2 t -96.13 124.24 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.835 0.35 . . . . 74.14 111.078 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.546 ' HD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -85.64 -50.79 6.93 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.008 0.432 . . . . 73.24 110.359 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.546 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 3.3 p-10 -162.3 156.48 21.54 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.012 0.434 . . . . 61.22 111.977 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 63' ' ' VAL . 86.3 m-85 -103.62 126.63 50.88 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.454 -0.339 . . . . 70.11 110.752 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -109.1 137.69 46.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.882 0.372 . . . . 75.11 111.332 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 31' ' ' TYR . 97.9 t -87.67 121.07 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.787 0.327 . . . . 73.15 110.585 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 35.0 ttm180 -135.98 158.15 45.11 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.735 -0.211 . . . . 73.42 110.851 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 120.715 0.293 . . . . 61.0 111.304 179.831 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 121.097 0.475 . . . . 41.13 112.075 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.9 t -153.17 159.95 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.961 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.12 134.94 34.11 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 120.859 0.362 . . . . 73.14 111.204 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.466 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 35.6 m95 -114.94 125.67 53.89 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.431 0.634 . . . . 75.01 111.908 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.36 99.11 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.43 -0.804 . . . . 71.31 111.515 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.1 mm? -83.55 101.81 11.71 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.689 -0.486 . . . . 74.23 109.689 172.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 86' ' ' SER . 1.2 mtp85 -78.76 158.11 28.32 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.999 -0.546 . . . . 64.01 112.181 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -67.29 -19.31 65.47 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.897 0.856 . . . . 74.32 109.86 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.71 -20.41 63.46 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.883 -1.053 . . . . 73.44 111.338 170.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.19 -40.88 2.27 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.203 -0.522 . . . . 72.35 112.444 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 26.9 m -66.1 144.51 56.65 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.772 0.32 . . . . 63.53 111.284 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.7 pt-20 -99.25 159.44 14.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.96 0.41 . . . . 75.05 111.038 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.43 169.72 20.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 62.22 110.478 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -143.26 160.22 40.88 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.088 -0.383 . . . . 73.12 111.327 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -143.35 124.0 14.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.207 0.527 . . . . 65.15 111.828 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 m -79.2 76.21 5.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.139 0.495 . . . . 43.44 110.76 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -53.15 -30.82 39.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.579 0.955 . . . . 65.23 113.579 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 112.634 0.605 . . . . 73.24 112.634 -175.35 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo . . . . . 0 CA--C 1.539 0.758 0 CA-C-O 120.924 0.302 . . . . 74.01 112.723 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -75.1 96.1 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.187 0.517 . . . . 43.42 110.071 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.4 tt0 -96.0 100.45 12.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.115 -0.493 . . . . 54.44 111.339 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -111.45 116.13 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 111.97 0.359 . . . . 62.34 111.97 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.86 31.73 20.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.339 0.496 . . . . 54.02 112.339 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.74 -16.73 58.34 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.046 -0.597 . . . . 74.35 113.254 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -87.44 103.82 15.87 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 70.14 110.748 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 5.6 pt-20 -90.88 98.9 12.05 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.137 0.494 . . . . 71.45 112.108 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -91.15 114.38 26.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.385 -0.37 . . . . 74.34 111.017 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.78 5.37 1.52 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.73 0.641 . . . . 72.32 112.73 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -165.04 143.49 6.43 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.783 0.325 . . . . 62.14 111.197 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.633 ' HE3' HD21 ' A' ' 21' ' ' LEU . 53.9 tptt -56.11 -44.31 78.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.762 0.315 . . . . 74.34 111.178 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.39 73.31 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.29 -0.414 . . . . 75.22 111.948 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -66.3 -43.13 87.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.059 0.457 . . . . 72.33 110.332 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.97 90.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.048 -0.524 . . . . 63.13 111.331 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.633 HD21 ' HE3' ' A' ' 17' ' ' LYS . 89.1 mt -59.21 -44.2 92.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.181 -0.463 . . . . 44.53 111.53 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.31 -53.77 54.31 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.429 -0.351 . . . . 63.32 111.125 176.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -53.74 -50.08 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.845 0.355 . . . . 60.44 111.658 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.518 ' SD ' ' HB2' ' A' ' 92' ' ' TYR . 66.1 mtt -57.04 -46.74 82.19 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.948 0.404 . . . . 71.43 111.141 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -40.26 96.73 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.157 -0.474 . . . . 61.12 110.894 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' ALA . 72.0 t -59.04 -54.14 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 111.748 0.277 . . . . 51.45 111.748 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -70.37 -27.31 64.22 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.896 0.379 . . . . 74.11 111.253 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD12 HG13 ' A' ' 68' ' ' VAL . 54.1 tp -61.63 -41.7 97.85 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.234 0.54 . . . . 72.43 110.617 174.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -85.35 -7.44 58.97 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.959 -0.564 . . . . 75.03 111.896 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -74.6 -49.68 20.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.014 0.435 . . . . 71.33 110.209 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -72.67 140.68 48.07 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 72.42 110.89 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -86.77 159.74 51.48 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.021 -0.536 . . . . 74.55 110.649 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.94 -1.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.355 2.703 . . . . 71.14 115.546 -176.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -131.72 17.62 4.94 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.158 -0.544 . . . . 61.23 113.407 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -99.66 129.59 45.81 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.339 0.59 . . . . 63.31 112.027 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.6 mm -81.17 133.85 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.74 -0.664 . . . . 73.12 110.585 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.3 136.4 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.326 -0.397 . . . . 65.34 111.782 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -64.56 171.54 3.2 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.234 -0.439 . . . . 72.54 112.155 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.3 m -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.805 0.336 . . . . 71.34 111.728 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.83 -60.8 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.903 0.383 . . . . 44.12 111.192 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 44' ' ' PHE . 4.8 m-20 -57.95 -36.13 72.11 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.293 0.568 . . . . 55.31 110.971 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.78 -48.49 83.68 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-N 115.959 -0.564 . . . . 71.15 112.591 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.54 -40.05 71.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.027 0.442 . . . . 70.33 111.192 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 41' ' ' ASP . 68.2 t80 -54.17 -48.69 70.64 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.988 -0.551 . . . . 64.55 110.748 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.67 -34.98 79.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 111.792 178.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.64 HG12 ' HZ2' ' A' ' 50' ' ' LYS . 60.2 t -62.94 -43.23 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.944 0.402 . . . . 61.45 110.975 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -67.37 -41.89 84.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.063 0.459 . . . . 74.13 110.92 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.09 68.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.194 -0.457 . . . . 73.54 111.283 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 tp -79.22 -37.08 38.98 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.279 -0.419 . . . . 64.23 111.359 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.64 ' HZ2' HG12 ' A' ' 46' ' ' VAL . 61.9 mttp -60.89 -21.07 62.95 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -84.35 26.99 0.72 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.01 0.433 . . . . 71.12 111.812 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -123.96 145.5 48.12 Favored Pre-proline 0 N--CA 1.47 0.533 0 C-N-CA 122.396 0.278 . . . . 75.25 111.022 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.37 -16.85 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.93 1.754 . . . . 75.51 111.221 171.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 5.2 m-20 -98.36 12.66 34.17 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.342 -0.844 . . . . 63.43 111.385 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.97 -78.8 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.922 0.712 . . . . 51.25 112.922 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -63.19 -23.42 67.42 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.872 0.323 . . . . 45.05 111.872 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.2 t -64.37 -50.84 66.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.112 0.482 . . . . 63.42 111.294 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HD2' ' HG3' ' A' ' 88' ' ' GLU . 33.9 mmtp -71.37 -32.71 68.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 74.13 110.996 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.482 HG23 HG23 ' A' ' 63' ' ' VAL . 90.1 mt -63.92 -41.35 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.025 0.441 . . . . 64.25 110.958 173.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.38 -119.95 18.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.277 -0.487 . . . . 73.02 112.471 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 37.8 Cg_endo -66.36 -46.88 3.64 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.181 1.92 . . . . 73.53 112.02 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.48 154.22 10.74 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 115.951 -0.568 . . . . 73.22 112.697 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.482 HG23 HG23 ' A' ' 59' ' ' ILE . 58.6 t -84.65 126.26 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 122.591 -0.358 . . . . 64.52 111.238 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD3' HG22 ' A' ' 83' ' ' THR . 27.6 tpt180 -93.8 -49.61 5.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.03 0.443 . . . . 73.5 110.422 178.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -164.65 -174.56 3.46 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.964 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.85 150.12 50.46 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.142 -0.481 . . . . 70.03 110.502 175.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -123.56 142.05 51.4 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.868 0.366 . . . . 75.11 111.195 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.509 HG13 HD12 ' A' ' 28' ' ' LEU . 75.2 t -101.83 101.25 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.103 0.477 . . . . 74.5 110.719 175.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.494 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 15.3 ttm180 -126.12 146.55 49.89 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.94 0.4 . . . . 75.24 111.507 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 57.7 p . . . . . 0 N--CA 1.469 0.5 0 CA-C-N 116.331 -0.395 . . . . 61.33 110.597 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.8 mt-30 . . . . . 0 N--CA 1.469 0.509 0 CA-C-O 120.969 0.414 . . . . 63.42 111.522 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.521 ' SG ' ' NH2' ' A' ' 89' ' ' ARG . 91.3 m -148.25 152.51 37.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.424 -0.353 . . . . 72.2 111.063 175.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -85.55 113.8 22.08 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.896 0.379 . . . . 72.42 110.573 175.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.494 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 77.6 m95 -91.42 126.74 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 70.53 111.885 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 39.9 mt -82.75 103.84 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.966 -0.561 . . . . 73.45 111.057 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.14 100.64 12.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.044 0.449 . . . . 74.42 111.273 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.07 151.91 41.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.859 174.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.469 HG22 ' HD3' ' A' ' 64' ' ' ARG . 71.6 p -57.2 -33.18 67.23 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.633 0.73 . . . . 55.42 109.88 171.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 17.6 t70 -56.04 -30.25 61.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.764 -1.107 . . . . 71.31 112.334 173.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.91 -36.44 4.01 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.265 -0.493 . . . . 64.04 113.118 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -62.06 143.67 56.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.938 0.348 . . . . 75.02 111.938 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -119.05 158.42 25.86 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.149 0.5 . . . . 62.44 111.935 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.538 ' HG3' ' HD2' ' A' ' 58' ' ' LYS . 0.7 OUTLIER -146.23 139.24 25.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.285 -0.416 . . . . 74.3 110.102 178.399 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.521 ' NH2' ' SG ' ' A' ' 77' ' ' CYS . 11.5 ptm180 -106.0 103.82 13.4 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.997 -0.44 . . . . 74.53 112.063 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -91.04 130.6 36.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 75.25 111.605 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -82.01 102.29 10.87 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.15 0.5 . . . . 71.41 111.503 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.518 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 12.5 p90 -55.46 -29.52 58.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.795 -0.639 . . . . 71.21 112.648 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 pttm . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 112.271 0.471 . . . . 64.13 112.271 -178.125 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo . . . . . 0 CA--C 1.542 0.907 0 N-CA-C 113.962 0.716 . . . . 73.14 113.962 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.0 mp -76.11 108.3 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.523 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.0 OUTLIER -90.68 121.96 33.04 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.931 0.396 . . . . 55.15 111.284 -178.063 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -133.07 116.59 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.471 -0.331 . . . . 64.33 111.152 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.8 27.86 17.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.715 0.635 . . . . 71.11 112.715 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.48 0.5 61.01 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.41 -0.424 . . . . 45.12 113.47 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -114.46 111.5 21.51 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.669 -0.313 . . . . 71.23 110.904 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -91.58 136.08 33.39 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.215 0.531 . . . . 70.54 111.184 179.45 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.669 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 72.5 m-85 -116.72 118.17 31.81 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.162 -0.472 . . . . 72.2 111.042 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.92 -27.07 40.45 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.224 0.824 . . . . 75.31 113.224 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -139.17 154.32 48.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.862 0.363 . . . . 71.02 111.407 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -49.78 -48.14 50.71 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.029 -0.532 . . . . 74.31 112.114 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.96 67.59 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.92 0.711 . . . . 73.51 112.92 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 25.1 t0 -64.19 -37.34 87.11 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.139 0.495 . . . . 63.31 110.969 -177.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.63 98.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.208 0.528 . . . . 42.14 111.019 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.31 -39.22 93.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.798 -0.637 . . . . 73.31 110.715 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.74 98.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.058 -0.519 . . . . 62.03 111.268 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.0 -52.06 65.54 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.297 -0.41 . . . . 75.24 111.089 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.801 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 75.0 mtm -56.29 -24.34 42.45 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.588 0.588 . . . . 72.22 112.588 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -70.9 -48.58 52.88 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.999 -0.438 . . . . 75.03 110.987 170.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.48 -55.59 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 120.951 0.405 . . . . 72.02 111.331 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.801 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 11.7 ptm -58.79 -36.26 74.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.136 -0.484 . . . . 74.34 111.244 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.23 -39.91 82.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.852 0.358 . . . . 64.31 111.665 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.57 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -78.68 -16.4 57.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.151 0.5 . . . . 52.11 110.926 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.62 -38.45 86.98 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.018 -0.537 . . . . 63.25 111.419 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -93.71 161.67 14.24 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.296 0.569 . . . . 72.1 111.8 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.569 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 6.2 mpt_? -100.15 163.57 18.04 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 109.323 -0.621 . . . . 71.32 109.323 174.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 39.7 Cg_endo -64.96 20.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.548 1.223 0 C-N-CA 122.611 2.208 . . . . 70.32 114.894 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.96 10.43 2.57 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 121.273 -0.489 . . . . 35.0 113.373 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -96.57 161.95 13.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.563 0.697 . . . . 70.12 112.479 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -104.35 132.3 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.652 -0.704 . . . . 75.54 110.32 175.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.442 HG11 HD12 ' A' ' 45' ' ' LEU . 61.6 t -60.14 121.25 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.857 0.361 . . . . 74.43 111.103 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.0 m -62.16 173.27 1.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.213 0.53 . . . . 65.42 112.367 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.1 m -55.95 -55.7 29.55 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.193 0.812 . . . . 62.25 113.193 -173.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.91 -60.14 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.97 0.414 . . . . 71.42 111.749 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.168 -0.469 . . . . 53.12 111.413 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -63.99 -46.34 91.65 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 121.339 -0.458 . . . . 71.11 112.743 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.71 64.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.108 0.48 . . . . 63.55 111.232 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.44 -51.11 68.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.66 -0.7 . . . . 72.23 110.808 175.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 HD12 HG11 ' A' ' 37' ' ' VAL . 96.4 mt -59.52 -34.03 72.11 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.103 -0.499 . . . . 75.13 111.99 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 42' ' ' GLY . 91.4 t -57.89 -51.94 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.845 0.355 . . . . 65.01 110.932 176.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -66.28 -38.34 87.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.877 0.37 . . . . 74.22 110.943 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -57.57 -39.53 76.95 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.254 0.549 . . . . 70.13 110.887 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.4 tp -69.04 -55.79 9.74 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.088 -0.505 . . . . 70.01 110.925 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -50.75 -36.6 37.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 2.0 ptm180 -71.38 1.75 5.85 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.036 0.446 . . . . 70.34 112.146 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -94.04 133.83 26.94 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 122.462 0.305 . . . . 64.21 110.482 172.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.62 -12.1 26.73 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.904 2.403 . . . . 63.31 113.914 -175.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -122.08 26.87 8.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.168 0.508 . . . . 65.12 111.988 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -73.51 -51.87 15.53 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.474 -0.33 . . . . 44.11 111.219 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 t -45.07 -45.78 11.19 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.024 0.749 . . . . 74.53 113.024 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.4 t -57.62 -36.13 71.38 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.933 0.397 . . . . 65.22 111.931 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -100.91 5.62 43.36 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.173 0.434 . . . . 75.33 112.173 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' ALA . 69.8 mt -88.55 -46.06 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.79 0.328 . . . . 70.15 110.287 171.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.96 -117.82 10.58 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 114.889 0.716 . . . . 54.2 114.889 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.4 -4.11 14.89 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.086 2.524 . . . . 62.42 113.891 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.07 168.89 12.85 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 120.734 -0.746 . . . . 62.03 113.513 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.564 HG22 HH22 ' A' ' 82' ' ' ARG . 62.8 t -87.81 117.8 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.102 0.408 . . . . 73.3 112.102 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.667 HH11 ' ND2' ' A' ' 65' ' ' ASN . 2.1 tmt_? -79.53 -61.13 2.1 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 109.15 -0.685 . . . . 63.31 109.15 173.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.667 ' ND2' HH11 ' A' ' 64' ' ' ARG . 42.5 p30 -169.98 -173.44 1.56 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.02 0.438 . . . . 70.1 111.221 170.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -119.61 130.83 55.3 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.397 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -106.51 144.75 32.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.063 0.459 . . . . 51.43 111.846 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.52 96.63 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.07 -0.514 . . . . 72.15 109.862 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -104.98 158.1 16.77 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.954 0.407 . . . . 55.1 111.993 -173.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 112.966 0.728 . . . . 32.21 112.966 -177.126 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 120.51 0.195 . . . . 75.41 110.764 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.7 t -138.62 146.4 41.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.739 0.304 . . . . 34.32 111.491 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -84.47 129.53 34.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.842 0.353 . . . . 71.41 111.058 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -114.35 136.03 53.44 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.445 0.64 . . . . 72.41 111.973 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.7 mt -86.53 104.03 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.216 -0.902 . . . . 73.44 111.314 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.84 128.72 35.05 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.033 0.444 . . . . 64.03 111.032 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.564 HH22 HG22 ' A' ' 63' ' ' VAL . 5.9 mmp_? -102.93 144.31 31.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.252 -0.431 . . . . 74.14 110.756 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 p -55.96 -33.89 65.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.175 0.512 . . . . 74.01 111.206 177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.25 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.761 -0.654 . . . . 70.22 111.935 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.23 -31.59 1.16 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.097 -0.573 . . . . 74.42 113.127 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.1 m -75.45 112.28 11.61 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.565 -0.374 . . . . 61.21 111.403 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.9 153.85 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.244 0.545 . . . . 63.25 111.745 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -138.11 159.25 42.54 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.857 -0.611 . . . . 65.15 110.516 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -115.35 156.47 25.45 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.087 -0.383 . . . . 73.21 111.388 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.09 122.63 15.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 75.45 111.446 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.8 m -73.66 95.82 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.303 -0.408 . . . . 65.34 110.736 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -55.75 -27.73 52.26 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.66 0.615 . . . . 73.31 112.66 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 111.857 0.317 . . . . 74.34 111.857 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.727 0.299 . . . . 75.04 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.28 72.81 10.17 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.353 0.597 . . . . 63.25 111.057 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -140.63 127.56 20.64 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.991 -0.549 . . . . 54.12 111.11 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.84 89.22 3.45 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.098 0.475 . . . . 63.12 110.99 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -88.09 162.37 40.87 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.127 -0.488 . . . . 64.23 111.575 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.56 156.27 57.89 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.258 1.972 . . . . 75.11 112.683 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.2 mp -74.03 103.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.288 -0.415 . . . . 53.01 111.037 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -91.23 123.37 34.62 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.018 0.437 . . . . 72.02 111.625 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.75 113.03 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.004 -0.544 . . . . 70.22 110.354 173.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.01 28.63 18.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.965 0.412 . . . . 41.14 111.823 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.36 40.61 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.403 -0.427 . . . . 74.14 113.17 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -75.09 117.35 16.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.539 -0.389 . . . . 74.3 110.614 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.04 104.63 16.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.308 0.575 . . . . 72.32 111.614 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.01 136.23 33.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.329 -0.396 . . . . 61.24 111.101 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.25 5.71 13.89 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.695 0.628 . . . . 71.05 112.695 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 19.6 tpp180 -163.61 150.18 11.93 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 122.245 -0.284 . . . . 62.54 111.375 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 97' ' ' LEU . 1.2 tmtp? -59.09 -45.55 90.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.9 0.381 . . . . 74.45 110.839 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.77 65.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.877 0.37 . . . . 65.42 111.828 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 37.9 t0 -69.06 -42.32 76.4 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.184 0.516 . . . . 61.41 110.538 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.84 96.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.15 -0.477 . . . . 50.33 111.363 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.91 -41.61 99.5 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.219 -0.446 . . . . 63.51 111.354 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -53.89 -51.6 63.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.233 -0.44 . . . . 71.14 111.607 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.77 -48.71 63.64 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.035 0.445 . . . . 71.42 111.536 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.95 -40.48 95.07 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.388 -0.369 . . . . 72.11 111.814 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -64.81 -37.65 88.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.706 0.288 . . . . 72.34 111.568 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 22' ' ' ALA . 96.4 t -57.61 -58.9 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.655 0.264 . . . . 53.13 111.681 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.645 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.1 ptt? -62.99 -40.64 98.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.957 -0.297 . . . . 75.31 111.083 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.41 -50.22 62.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.055 0.455 . . . . 70.0 111.45 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.6 -18.8 65.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.161 -0.472 . . . . 75.41 111.832 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -85.48 -7.87 58.66 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.056 0.391 . . . . 75.0 112.056 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -108.55 162.88 13.72 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.972 0.415 . . . . 75.23 111.236 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 80.6 mtm180 -105.74 163.47 17.01 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.476 -0.329 . . . . 62.24 110.33 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 49.7 Cg_endo -66.22 19.24 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 122.724 2.283 . . . . 73.21 115.134 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.97 12.09 1.08 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.043 -0.599 . . . . 55.1 113.324 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.521 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -104.87 147.63 27.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.252 0.549 . . . . 60.54 112.017 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -85.93 135.76 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.885 -0.598 . . . . 75.22 111.232 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 141.62 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.294 -0.412 . . . . 73.53 111.463 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -59.89 153.48 20.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.824 0.345 . . . . 61.15 111.872 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.7 m -58.99 -37.47 76.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.794 0.331 . . . . 73.03 111.656 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.44 -52.53 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.045 0.45 . . . . 60.41 111.404 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.645 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 31.0 m-20 -65.88 -40.41 91.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.127 0.489 . . . . 54.0 110.809 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -57.55 -42.13 93.88 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 116.028 -0.533 . . . . 71.14 112.7 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -34.92 72.36 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.074 0.464 . . . . 74.35 111.413 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.29 -46.93 69.01 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.043 -0.526 . . . . 71.13 110.509 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.21 -40.56 81.95 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.622 -0.717 . . . . 74.14 111.998 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 42' ' ' GLY . 91.0 t -54.77 -53.42 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 120.811 0.339 . . . . 72.41 111.327 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -67.64 -35.85 79.66 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 120.879 0.371 . . . . 72.34 111.183 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.98 71.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.265 0.555 . . . . 74.34 110.997 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 tp -75.96 -53.13 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.092 -0.504 . . . . 71.51 110.824 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -53.71 -25.13 17.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.193 0.812 . . . . 70.51 113.193 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -78.45 13.92 1.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.184 0.439 . . . . 71.31 112.184 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -114.19 140.7 25.31 Favored Pre-proline 0 N--CA 1.47 0.537 0 C-N-CA 122.507 0.323 . . . . 71.11 110.795 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -23.28 68.14 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.509 2.139 . . . . 72.45 113.006 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 14.9 m-20 -81.38 3.15 25.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.206 0.447 . . . . 74.22 112.206 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.69 -57.45 2.3 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.999 0.741 . . . . 62.23 112.999 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.5 t -55.22 -40.69 71.11 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.239 0.459 . . . . 75.52 112.239 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 m -69.55 -40.45 76.81 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.808 0.337 . . . . 55.13 111.486 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 29.0 mmmt -71.3 -46.92 59.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.094 0.473 . . . . 74.14 111.377 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.91 -50.51 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.76 -0.654 . . . . 63.34 112.705 -174.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.96 -116.83 4.93 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.843 -0.694 . . . . 74.24 112.621 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.43 -21.53 6.27 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.507 2.138 . . . . 73.14 113.02 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.64 153.31 6.34 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.092 -0.575 . . . . 75.33 113.169 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.28 124.42 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 120.932 0.396 . . . . 74.22 111.089 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -91.61 -48.15 7.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.717 0.294 . . . . 62.21 110.697 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -167.66 175.66 6.88 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.904 0.383 . . . . 72.11 111.285 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.19 135.12 55.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.154 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -120.54 137.32 54.45 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.816 0.341 . . . . 50.24 111.058 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.38 114.81 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.662 0.268 . . . . 74.0 110.454 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -135.83 159.24 42.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.69 0.281 . . . . 73.41 110.48 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.8 p -62.21 136.16 57.81 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.096 0.474 . . . . 70.44 112.084 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.698 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -79.81 -56.05 4.55 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.165 0.507 . . . . 72.53 110.892 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.91 -72.43 0.46 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.145 -0.48 . . . . 63.24 111.767 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -138.47 105.36 5.4 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.404 -0.221 . . . . 75.14 110.404 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.47 -37.7 1.83 Allowed Glycine 0 CA--C 1.529 0.964 0 C-N-CA 121.167 -0.539 . . . . 51.45 113.249 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.5 p -60.7 142.61 55.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.781 0.432 . . . . 65.44 112.034 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -108.69 147.19 32.3 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.271 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 88.3 m -147.91 158.21 43.92 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.748 0.309 . . . . 74.02 111.236 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.81 125.15 35.21 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.178 0.513 . . . . 75.14 111.579 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -103.02 132.4 49.31 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.147 0.498 . . . . 64.41 111.557 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.5 mt -88.81 109.35 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.9 -0.591 . . . . 70.43 111.388 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -88.51 114.12 24.8 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.851 0.358 . . . . 72.43 110.26 175.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -79.32 154.6 28.96 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.225 0.536 . . . . 73.14 112.014 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.7 p -66.03 -19.38 65.83 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.125 -0.489 . . . . 63.13 112.171 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.18 -5.13 53.51 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 120.772 0.32 . . . . 72.21 111.815 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.16 4.3 56.51 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.373 -0.441 . . . . 64.25 113.576 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 m -95.75 -178.74 4.48 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.416 -0.461 . . . . 41.34 111.477 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.66 161.67 37.94 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.213 0.53 . . . . 73.03 111.937 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.79 169.09 21.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.94 -0.573 . . . . 75.35 110.663 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -133.3 142.67 48.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.628 0.252 . . . . 70.43 110.954 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -136.65 137.64 40.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.199 0.523 . . . . 72.51 111.38 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.1 m -83.63 95.03 8.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.191 -0.458 . . . . 52.23 111.26 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -51.31 -28.24 11.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.72 0.637 . . . . 71.41 112.72 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -51.46 -28.86 14.39 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.66 0.615 . . . . 75.3 112.66 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -100.82 40.22 1.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.823 0.344 . . . . 74.51 111.283 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.595 ' SG ' HG23 ' A' ' 96' ' ' VAL . 29.1 p -65.77 -35.41 80.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.724 0.297 . . . . 74.41 111.465 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.595 HG23 ' SG ' ' A' ' 95' ' ' CYS . 43.2 t -106.93 -85.3 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 116.282 -0.417 . . . . 74.14 111.957 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.403 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 66.1 mt -151.66 161.04 43.33 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 112.012 0.375 . . . . 75.32 112.012 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.91 -48.98 4.96 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.271 -0.422 . . . . 73.04 110.484 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.0 t60 54.43 48.97 19.38 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.043 -0.526 . . . . 75.32 112.185 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 65.58 -13.33 0.14 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.852 1.056 . . . . 61.42 113.852 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -75.17 -0.95 21.02 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.825 -0.547 . . . . 53.33 111.804 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -59.43 99.08 0.05 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.411 -0.588 . . . . 65.24 109.411 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -79.97 129.34 34.41 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.8 0.667 . . . . 73.03 112.8 -170.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 . . . . . 0 C--O 1.252 1.233 0 CA-C-N 115.764 -0.653 . . . . 74.41 110.652 174.672 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 120.634 0.254 . . . . 72.24 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.89 -49.76 66.9 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.055 0.391 . . . . 71.14 112.055 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -89.26 -179.91 5.97 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.932 0.396 . . . . 74.33 111.857 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.83 141.47 57.92 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.584 0.587 . . . . 75.43 112.584 -177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.7 148.01 56.83 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 116.229 -0.441 . . . . 73.42 111.464 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.66 157.68 31.94 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.61 2.207 . . . . 52.23 113.426 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.9 mp -94.87 103.1 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 116.396 -0.366 . . . . 62.24 110.64 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 119.09 34.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.895 0.379 . . . . 63.13 111.352 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -123.24 109.83 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 120.729 0.299 . . . . 73.1 111.351 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.63 48.5 20.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.391 0.515 . . . . 73.22 112.391 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -2.97 81.6 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.204 -0.522 . . . . 73.13 113.77 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.78 106.96 18.41 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.138 -0.625 . . . . 75.24 110.866 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.08 109.05 17.95 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.131 -0.486 . . . . 63.24 111.992 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -103.06 103.03 13.08 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.979 0.419 . . . . 64.34 110.39 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 5.65 8.28 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.34 0.496 . . . . 72.41 112.34 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -153.87 141.78 20.18 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.741 0.305 . . . . 74.54 111.12 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -57.36 -36.27 70.98 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.591 0.589 . . . . 74.34 112.591 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.51 -32.81 71.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.862 0.319 . . . . 63.13 111.862 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.92 -41.64 95.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.039 0.447 . . . . 64.42 111.324 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.56 76.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.976 0.417 . . . . 53.42 111.385 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 93' ' ' LYS . 55.5 mt -67.63 -34.44 76.97 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.117 -0.492 . . . . 65.55 111.42 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.61 -47.07 87.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.367 -0.379 . . . . 72.43 111.285 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -62.1 -54.99 33.52 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.373 -0.376 . . . . 60.54 110.8 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.474 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 66.1 mtt -49.3 -37.97 25.95 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.858 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.21 -51.27 66.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.697 0.284 . . . . 74.12 111.21 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 22' ' ' ALA . 58.9 t -59.69 -46.96 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 112.074 0.398 . . . . 52.35 112.074 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.5 ptm -65.95 -40.71 91.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.798 0.332 . . . . 74.14 111.508 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 76' ' ' GLN . 55.4 tp -64.67 -43.77 92.5 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.081 0.467 . . . . 42.43 111.374 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -72.27 -0.23 11.64 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.32 0.489 . . . . 54.11 112.32 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.6 -22.72 21.09 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.151 0.5 . . . . 73.25 111.07 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.606 ' HB2' HG21 ' A' ' 68' ' ' VAL . 80.7 m-85 -110.22 140.8 43.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.285 -0.416 . . . . 72.23 110.517 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.536 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 56.2 mtm180 -94.6 164.57 19.45 Favored Pre-proline 0 N--CA 1.468 0.468 0 CA-C-N 116.532 -0.304 . . . . 72.15 111.457 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 19.2 Cg_endo -59.01 77.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.641 2.227 . . . . 64.34 112.649 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 -5.15 0.62 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 114.813 -1.085 . . . . 71.54 113.424 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.92 145.24 25.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.223 0.535 . . . . 74.41 111.952 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.401 HD12 HD22 ' A' ' 65' ' ' ASN . 50.1 mm -88.06 129.58 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.922 -0.581 . . . . 71.1 110.096 172.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 60.9 t -61.3 132.41 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.454 -0.339 . . . . 74.53 111.609 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -60.93 169.23 2.02 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.661 0.615 . . . . 53.33 112.661 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.3 m -57.91 -57.79 11.23 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.621 0.6 . . . . 75.5 112.621 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.81 -48.36 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 121.006 0.432 . . . . 63.44 111.83 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.97 -39.0 90.64 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.008 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.06 -48.99 79.49 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 116.137 -0.483 . . . . 51.13 112.599 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.38 -37.16 64.68 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.956 0.408 . . . . 72.35 111.472 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.47 -49.53 76.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.044 -0.526 . . . . 70.11 110.595 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.11 -38.12 78.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.737 -0.665 . . . . 74.42 111.927 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 42' ' ' GLY . 66.4 t -58.73 -46.06 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.726 0.298 . . . . 52.15 111.164 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 16.2 mm-40 -62.77 -52.48 63.05 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.863 0.363 . . . . 73.52 111.008 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.35 61.61 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.096 0.474 . . . . 64.24 111.609 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.9 tp -74.07 -48.2 31.47 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.899 -0.591 . . . . 65.33 111.151 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -66.78 -7.83 24.09 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.603 0.594 . . . . 71.21 112.603 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 75.1 mtp85 -80.26 -5.1 55.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.965 0.412 . . . . 75.23 111.345 174.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -95.65 138.23 21.82 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.496 -0.32 . . . . 75.15 110.957 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.08 -23.44 60.74 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.274 1.983 . . . . 61.41 111.945 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 57' ' ' SER . 3.4 m-20 -84.75 25.98 0.87 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.063 0.545 . . . . 63.23 111.326 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.92 -64.33 0.85 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.957 0.725 . . . . 71.41 112.957 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -55.51 -31.89 62.43 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 112.308 0.484 . . . . 72.03 112.308 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 54' ' ' ASP . 24.0 t -56.08 -33.67 65.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.006 0.432 . . . . 71.51 111.792 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HB3' HD12 ' A' ' 80' ' ' ILE . 44.7 mmtm -102.76 -33.43 9.39 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.405 -0.361 . . . . 74.51 111.942 -177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 63' ' ' VAL . 66.2 mt -81.75 -48.01 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 112.274 0.472 . . . . 71.23 112.274 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.65 -129.4 19.19 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 120.863 -0.684 . . . . 52.34 111.888 -171.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.27 -41.66 2.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.432 2.088 . . . . 74.13 112.756 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.82 158.53 27.58 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.988 -0.625 . . . . 51.14 113.31 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 59' ' ' ILE . 68.8 t -94.92 126.83 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 122.55 -0.383 . . . . 55.21 111.242 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -59.01 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.835 0.35 . . . . 61.41 110.285 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.401 HD22 HD12 ' A' ' 36' ' ' ILE . 4.1 p-10 -153.08 152.25 31.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.142 0.496 . . . . 53.51 111.979 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 91.5 m-85 -99.04 143.93 28.76 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.261 -0.427 . . . . 64.21 111.041 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.14 143.99 48.81 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.002 0.429 . . . . 74.24 110.985 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.9 t -101.61 113.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 73.13 110.829 175.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 14.5 ttm180 -131.55 150.17 52.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.32 -0.4 . . . . 71.33 111.038 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 m -78.8 120.85 24.02 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.835 0.35 . . . . 61.2 111.87 -177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.36 4.17 13.39 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.194 0.521 . . . . 32.02 111.367 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -147.4 173.09 12.96 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.115 -0.493 . . . . 75.4 110.365 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -54.96 -52.84 61.79 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.969 0.414 . . . . 74.12 112.027 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.59 19.94 4.19 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 120.842 -0.694 . . . . 64.44 113.793 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.6 p -131.28 158.06 41.65 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.363 0.601 . . . . 74.14 111.752 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.493 ' HB2' HD21 ' A' ' 28' ' ' LEU . 16.8 mt-30 -106.07 174.96 5.66 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.793 -0.639 . . . . 62.53 111.85 -171.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.94 143.16 29.34 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.458 -0.337 . . . . 74.34 111.294 176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.975 0.417 . . . . 71.15 111.535 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 60.6 m95 -102.79 135.87 43.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.151 0.501 . . . . 75.12 110.936 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' A' ' 58' ' ' LYS . 53.5 mt -98.34 110.0 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 111.98 0.363 . . . . 63.4 111.98 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.43 100.51 11.91 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.639 0.733 . . . . 44.02 109.531 170.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -76.73 153.92 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.074 -0.967 . . . . 75.22 112.401 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -61.33 -21.35 63.92 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.798 0.809 . . . . 73.44 110.136 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.11 -26.83 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.737 -1.12 . . . . 72.54 111.522 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.74 -15.66 40.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.491 -0.385 . . . . 74.4 113.112 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.0 p -97.63 162.93 13.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.223 0.535 . . . . 73.42 112.241 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 81' ' ' LEU . 6.3 pt-20 -117.0 143.02 46.21 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.928 -0.578 . . . . 60.33 111.532 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -157.69 141.55 15.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.797 0.332 . . . . 73.34 111.157 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.48 159.99 14.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.046 0.45 . . . . 53.2 112.172 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -135.62 145.06 46.47 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.115 0.483 . . . . 75.33 111.299 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 63.1 p -79.85 95.67 6.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.219 0.533 . . . . 52.52 111.841 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -64.61 -27.68 69.1 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.217 -0.302 . . . . 74.31 111.765 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 21.6 ptmt -69.79 -11.05 60.56 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.894 0.378 . . . . 73.05 111.79 178.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -107.59 28.26 8.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.029 0.442 . . . . 74.43 111.245 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.84 -21.78 50.92 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.106 0.41 . . . . 74.25 112.106 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.5 t -106.17 -94.69 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 111.781 0.289 . . . . 54.23 111.781 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 mt -157.67 167.48 29.97 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 121.146 0.498 . . . . 72.3 111.72 -175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -85.15 -164.88 1.06 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.839 -0.619 . . . . 75.45 110.989 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -137.65 152.44 49.32 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.905 -0.406 . . . . 71.14 109.905 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -56.27 138.64 50.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.426 0.632 . . . . 62.14 112.132 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -151.78 166.89 29.97 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.72 -0.673 . . . . 72.33 111.502 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -65.48 -53.56 40.87 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.212 -0.449 . . . . 61.52 112.027 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -173.93 119.69 0.28 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.94 0.4 . . . . 64.41 111.635 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.629 -0.701 . . . . 75.44 111.359 177.538 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 112.052 0.39 . . . . 72.11 112.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.38 94.21 1.21 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.303 0.483 . . . . 71.34 112.303 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -138.5 141.49 39.37 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.54 -0.3 . . . . 51.01 111.033 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 59.24 25.79 14.45 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.559 0.577 . . . . 73.51 112.559 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -138.96 145.57 46.04 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-O 120.898 0.38 . . . . 74.44 111.795 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -84.81 174.92 7.16 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.648 2.232 . . . . 73.14 112.292 172.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.546 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -87.14 75.06 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 121.49 0.662 . . . . 71.4 110.467 177.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 51' ' ' ARG . 2.2 tm-20 -93.03 111.43 23.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.108 -0.496 . . . . 55.42 110.415 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -124.05 115.83 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 111.987 0.366 . . . . 64.12 111.987 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.23 28.2 14.76 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.595 0.591 . . . . 54.42 112.595 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.15 -20.57 44.74 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 121.451 -0.404 . . . . 75.13 112.646 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -85.07 103.83 14.43 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.95 0.405 . . . . 71.15 110.0 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 10.8 pt-20 -93.09 122.6 35.62 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.501 0.556 . . . . 72.2 112.501 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.527 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 56.8 m-85 -122.46 130.56 53.19 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.274 -0.421 . . . . 73.42 110.482 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.91 -8.25 57.43 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 122.143 -0.348 . . . . 74.44 111.897 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -143.51 145.95 32.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.903 0.382 . . . . 72.41 111.542 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' NZ ' ' SG ' ' A' ' 95' ' ' CYS . 46.0 tptt -58.66 -42.11 87.66 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.519 0.562 . . . . 73.23 112.519 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.68 -32.88 44.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.199 0.523 . . . . 73.42 111.391 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.91 -47.31 62.99 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.866 -0.606 . . . . 70.32 111.787 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 7' ' ' ILE . . . -55.83 -39.6 71.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.293 0.568 . . . . 34.21 110.618 174.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD21 ' HE3' ' A' ' 17' ' ' LYS . 93.7 mt -64.03 -45.88 86.92 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.731 -0.668 . . . . 52.13 111.057 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.94 77.51 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.03 0.382 . . . . 71.52 112.03 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.96 -56.49 21.37 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.013 0.435 . . . . 74.54 111.053 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.7 mtm -67.2 -22.2 65.74 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.281 -0.418 . . . . 74.25 111.719 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.15 -56.29 9.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.961 0.41 . . . . 72.22 111.032 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 -55.27 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.333 -0.394 . . . . 74.01 112.035 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.42 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.2 ptt? -64.34 -33.7 76.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.965 0.358 . . . . 74.05 111.965 -176.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HG ' ' HB2' ' A' ' 76' ' ' GLN . 51.6 tp -59.71 -49.97 75.67 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.117 0.484 . . . . 54.22 110.922 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -71.59 -16.18 62.29 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.949 -0.568 . . . . 64.11 112.081 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -67.85 -41.12 83.43 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.117 0.484 . . . . 75.4 111.07 174.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' HB2' HG21 ' A' ' 68' ' ' VAL . 93.5 m-85 -90.51 157.98 17.26 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.459 0.647 . . . . 74.13 111.727 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.8 mtt85 -106.52 161.01 24.23 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 115.836 -0.62 . . . . 74.3 110.588 -177.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 35.4 Cg_exo -57.14 76.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.616 2.211 . . . . 72.54 112.578 176.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 157.0 -26.99 0.51 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-N 114.974 -1.012 . . . . 70.12 112.923 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.31 137.22 55.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.271 0.557 . . . . 74.34 112.243 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.7 140.18 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.906 -0.588 . . . . 71.22 110.344 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.54 144.05 15.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 120.668 0.27 . . . . 70.22 111.322 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -65.07 165.57 10.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.346 0.594 . . . . 71.11 112.408 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 m -60.81 -27.79 68.3 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.929 -0.578 . . . . 74.45 111.337 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.73 -59.78 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.191 -0.459 . . . . 62.1 111.339 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 39.6 m-20 -63.04 -32.57 73.97 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.014 0.435 . . . . 75.13 111.23 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -57.7 -47.79 86.15 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.202 -0.454 . . . . 75.53 112.556 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.69 -35.48 74.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.139 0.495 . . . . 55.5 111.249 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.38 -47.41 85.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.905 -0.589 . . . . 74.04 110.397 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.68 -38.55 90.8 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.88 -0.6 . . . . 72.31 111.87 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG12 ' HE3' ' A' ' 50' ' ' LYS . 57.5 t -58.98 -48.51 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.856 0.36 . . . . 73.11 110.979 178.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.93 -40.89 94.96 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.996 0.427 . . . . 74.44 111.35 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.04 -26.23 68.17 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.956 0.408 . . . . 21.54 111.562 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.14 -43.79 32.74 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.333 -0.394 . . . . 74.13 111.491 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.575 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.7 mttt -55.3 -18.83 7.03 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.102 0.778 . . . . 63.31 113.102 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 8' ' ' GLU . 94.6 mtt180 -87.88 17.32 4.95 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.346 0.498 . . . . 71.1 112.346 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -111.6 136.53 21.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.473 -0.33 . . . . 74.14 110.413 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -26.01 81.3 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.645 1.564 . . . . 72.21 110.593 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -19.4 59.02 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.411 -1.268 . . . . 71.23 111.997 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -51.35 -50.4 59.54 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.599 0.592 . . . . 74.21 112.599 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -48.04 -37.02 13.99 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 111.99 0.367 . . . . 61.01 111.99 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.4 t -74.43 -50.95 16.38 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.883 0.373 . . . . 73.11 110.95 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.615 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 22.6 mtmm -80.76 18.35 1.0 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.811 0.671 . . . . 63.21 112.811 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HA ' HH11 ' A' ' 82' ' ' ARG . 80.9 mt -111.58 -47.72 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.372 -0.603 . . . . 63.03 109.372 164.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.88 -117.29 5.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.828 -0.624 . . . . 71.54 113.908 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.32 -19.0 15.57 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.802 2.334 . . . . 41.32 113.586 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.79 173.32 20.75 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.622 -0.799 . . . . 64.31 114.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG13 ' NH2' ' A' ' 82' ' ' ARG . 92.1 t -90.92 125.08 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.828 0.347 . . . . 72.54 111.689 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -91.11 -67.17 0.87 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.871 0.367 . . . . 73.21 110.424 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -168.55 -174.24 2.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.168 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -129.27 141.85 51.0 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.205 -0.452 . . . . 65.51 110.371 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -127.19 146.84 50.26 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.051 0.453 . . . . 65.3 111.914 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 33' ' ' PRO . 86.9 t -101.22 119.26 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.989 0.423 . . . . 73.43 112.017 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 62.4 mtt180 -131.4 160.07 36.14 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.281 -0.418 . . . . 65.53 110.703 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.7 m -74.14 153.11 39.68 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.908 0.385 . . . . 70.34 111.352 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.656 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -113.55 -81.87 0.6 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.77 0.319 . . . . 60.42 111.307 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.03 -83.32 0.16 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.678 0.275 . . . . 71.34 111.271 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -135.57 -66.39 0.57 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.112 0.482 . . . . 71.15 110.794 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.83 -11.47 43.41 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.177 -0.465 . . . . 74.01 112.451 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.2 p -96.53 134.35 39.84 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.272 0.558 . . . . 71.2 111.987 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt-30 -103.78 -172.21 2.07 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.69 -0.686 . . . . 70.41 111.077 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 87.9 m -149.07 149.24 30.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.867 0.365 . . . . 72.2 111.411 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -87.89 118.41 27.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.262 -0.426 . . . . 65.53 111.039 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.446 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 42.2 m95 -93.55 127.05 39.03 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.25 0.548 . . . . 71.42 111.781 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.1 mt -89.76 106.4 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.669 -0.696 . . . . 64.44 111.728 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -90.88 128.14 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.007 0.432 . . . . 74.12 110.807 176.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.615 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 3.0 mmp_? -103.12 152.21 21.67 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.288 -0.257 . . . . 74.41 111.314 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.3 p -59.26 -28.09 66.4 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 121.34 0.59 . . . . 71.11 110.716 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -55.31 -35.02 64.68 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.463 -0.789 . . . . 74.22 111.823 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.53 -29.47 6.93 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.345 -0.455 . . . . 75.34 112.456 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.4 m -63.87 149.55 46.81 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.057 0.391 . . . . 72.31 112.057 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.38 166.97 18.48 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.177 0.513 . . . . 72.24 111.638 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.533 ' HG2' ' HD3' ' A' ' 58' ' ' LYS . 9.2 tp10 -167.39 167.58 13.76 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.728 -0.669 . . . . 74.03 110.148 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 6.6 ptm180 -129.1 152.54 48.58 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 122.057 -0.402 . . . . 72.11 111.235 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -136.96 136.48 38.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.105 0.478 . . . . 64.51 111.493 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 m -86.06 96.03 9.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.373 -0.376 . . . . 70.21 111.811 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -55.24 -29.06 57.3 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.076 0.465 . . . . 74.44 111.807 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -69.12 -48.98 61.02 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.83 -0.623 . . . . 74.54 112.268 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -78.5 74.0 5.04 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.966 0.412 . . . . 74.24 111.647 -177.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.641 ' SG ' ' NZ ' ' A' ' 17' ' ' LYS . 25.5 p -179.1 58.52 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.896 -0.593 . . . . 73.11 110.919 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.485 HG13 ' HG2' ' A' ' 17' ' ' LYS . 46.7 t -103.91 -71.07 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 121.098 0.475 . . . . 72.01 110.7 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 71.7 mt -135.68 151.51 50.26 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.074 -0.512 . . . . 73.4 110.76 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.9 167.7 10.93 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.158 0.504 . . . . 74.42 111.512 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -96.32 7.14 47.22 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.402 0.62 . . . . 63.55 110.112 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -59.31 -38.86 81.32 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.518 -0.765 . . . . 73.34 113.011 -170.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.47 -10.74 59.74 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.026 0.38 . . . . 72.43 112.026 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -147.76 95.45 2.51 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.217 0.532 . . . . 73.42 111.199 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -154.12 117.79 4.66 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.317 -0.401 . . . . 65.25 111.378 -174.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.6 p80 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.393 -0.813 . . . . 73.02 111.256 176.475 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.778 0.323 . . . . 62.12 111.552 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.27 117.58 19.65 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.953 0.406 . . . . 72.2 111.749 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -71.28 -21.51 62.08 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.396 -0.365 . . . . 63.04 111.914 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.79 147.16 52.96 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.013 0.745 . . . . 64.42 113.013 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -114.65 151.71 45.57 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 115.862 -0.608 . . . . 64.31 111.808 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.6 150.52 88.29 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.575 2.183 . . . . 64.22 112.824 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.2 mp -84.47 113.08 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 120.702 0.287 . . . . 64.2 111.746 -174.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -106.53 116.78 32.52 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.665 0.269 . . . . 50.52 110.585 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.2 mt -133.4 110.78 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.707 0.289 . . . . 74.11 111.623 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.88 34.48 24.87 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.835 0.68 . . . . 72.32 112.835 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.46 -0.55 77.84 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.18 -0.533 . . . . 51.13 113.074 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -101.98 112.63 25.34 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 122.684 -0.304 . . . . 75.13 110.435 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.57 124.86 41.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.01 0.433 . . . . 73.33 111.336 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -116.19 118.28 32.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.807 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 4.6 7.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.565 0.58 . . . . 72.23 112.565 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.6 ptt180 -164.15 152.08 12.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.021 0.438 . . . . 64.33 111.257 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -60.53 -40.95 93.36 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.206 0.447 . . . . 74.33 112.206 -177.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.05 75.13 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.877 0.325 . . . . 72.42 111.877 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 37.3 t0 -61.01 -43.83 98.32 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.207 0.527 . . . . 71.44 110.934 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.81 86.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.154 -0.476 . . . . 61.43 111.624 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.4 -36.46 84.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.388 -0.369 . . . . 72.55 111.629 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.38 63.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.792 0.33 . . . . 64.12 111.033 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -50.09 -45.88 53.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.129 0.49 . . . . 74.12 111.413 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -70.75 -40.69 72.55 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.846 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -61.37 -44.6 96.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.725 0.298 . . . . 73.15 111.678 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.74 -56.12 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 111.707 0.262 . . . . 74.24 111.707 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -62.8 -28.03 69.71 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.886 0.374 . . . . 75.2 111.02 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.65 -44.36 96.46 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.385 -0.37 . . . . 44.21 111.258 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -75.65 -22.85 56.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.706 0.288 . . . . 72.33 111.572 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -46.45 76.7 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.912 0.387 . . . . 71.23 110.304 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.01 129.8 34.89 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.108 0.48 . . . . 74.2 110.581 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 79.2 mtp180 -66.22 146.35 99.02 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.088 -0.505 . . . . 71.35 111.957 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 25.3 Cg_exo -65.01 25.02 0.08 OUTLIER 'Trans proline' 0 CA--C 1.55 1.299 0 C-N-CA 123.453 2.769 . . . . 44.23 114.8 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.59 9.99 0.93 Allowed Glycine 0 CA--C 1.528 0.857 0 C-N-CA 121.373 -0.441 . . . . 73.25 112.838 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.15 172.97 6.62 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.439 0.533 . . . . 72.54 112.439 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -95.57 147.54 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.82 -0.627 . . . . 74.14 111.545 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -83.17 145.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.471 -0.331 . . . . 64.03 111.321 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 m -67.01 163.82 19.07 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.061 0.458 . . . . 72.11 111.972 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.8 m -59.29 -52.61 64.92 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.765 0.654 . . . . 73.42 112.765 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.16 -50.09 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 120.926 0.393 . . . . 63.43 111.824 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.01 -37.39 76.78 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.062 0.458 . . . . 74.32 110.937 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.04 -43.44 90.78 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.146 -0.479 . . . . 70.14 112.91 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.02 66.3 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.126 0.489 . . . . 71.41 110.991 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.74 -50.69 72.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.807 -0.633 . . . . 72.54 110.487 174.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.8 -38.95 76.42 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.752 -0.658 . . . . 75.02 111.646 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' HE2' ' A' ' 50' ' ' LYS . 97.6 t -58.59 -48.14 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.682 0.277 . . . . 71.45 111.345 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -64.53 -45.12 88.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.992 0.425 . . . . 62.1 111.146 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.07 68.25 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.091 0.472 . . . . 61.32 111.123 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 tp -74.38 -44.21 53.11 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.016 -0.538 . . . . 73.35 111.103 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HE2' HG12 ' A' ' 46' ' ' VAL . 64.9 mttm -52.99 -36.57 60.53 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.231 0.826 . . . . 64.14 113.231 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' NH2' ' SG ' ' A' ' 95' ' ' CYS . 36.7 ptt180 -77.52 14.01 1.11 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.2 0.445 . . . . 61.11 112.2 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -109.76 129.42 23.94 Favored Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 122.724 0.41 . . . . 71.32 110.083 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.79 -22.22 67.06 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.165 1.91 . . . . 72.02 112.434 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.72 -11.19 59.86 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.048 -0.524 . . . . 60.11 111.868 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.61 -51.17 22.16 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.802 0.667 . . . . 70.44 112.802 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -51.71 -35.43 42.9 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.996 0.739 . . . . 74.45 112.996 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -76.7 -30.28 56.64 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.738 0.304 . . . . 71.12 111.69 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -83.76 -29.37 27.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.998 0.428 . . . . 72.23 111.496 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG23 HG23 ' A' ' 63' ' ' VAL . 78.0 mt -78.74 -43.15 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.279 -0.419 . . . . 74.21 111.386 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.05 -130.93 49.9 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.987 -0.625 . . . . 64.43 112.411 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -75.3 -16.4 19.59 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.625 2.217 . . . . 71.01 113.469 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.95 150.87 6.18 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 34.42 113.86 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG23 HG23 ' A' ' 59' ' ' ILE . 70.4 t -89.23 121.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 122.702 0.401 . . . . 72.31 111.174 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -77.64 -58.91 3.01 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.734 0.302 . . . . 75.52 111.114 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -166.39 -177.16 3.92 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.705 0.288 . . . . 72.44 111.023 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.28 133.65 55.42 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.845 0.355 . . . . 74.14 111.558 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -120.33 144.89 47.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.466 -0.334 . . . . 51.15 110.658 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.43 138.18 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.039 0.447 . . . . 64.32 112.071 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 63.9 mtt180 -142.46 -177.6 5.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.928 0.491 . . . . 52.54 110.522 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 86.7 p -91.09 175.66 6.87 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.499 -0.319 . . . . 73.15 110.302 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -139.87 -74.81 0.35 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.002 0.43 . . . . 41.44 111.897 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -98.08 -165.41 1.25 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.414 -0.357 . . . . 72.1 111.191 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -57.78 -29.17 64.63 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.035 0.383 . . . . 75.11 112.035 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.43 44.87 0.68 Allowed Glycine 0 CA--C 1.527 0.828 0 C-N-CA 120.909 -0.662 . . . . 73.52 113.338 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -138.17 157.26 46.65 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.275 0.56 . . . . 63.3 112.005 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 44.8 mt-30 -114.71 176.55 5.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.716 -0.675 . . . . 72.03 110.541 173.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 52.4 t -157.51 152.37 25.53 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.918 0.39 . . . . 72.43 111.864 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.56 123.87 39.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.06 -0.518 . . . . 71.4 111.043 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 55.1 m95 -103.34 134.44 46.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.045 0.45 . . . . 73.12 111.264 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.7 mt -95.01 115.49 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.412 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -84.95 112.04 20.23 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.812 0.339 . . . . 75.13 110.605 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -83.81 146.93 27.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.764 0.316 . . . . 74.42 111.602 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.1 p -64.93 -16.6 63.5 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.864 0.364 . . . . 71.02 111.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.83 -27.83 65.47 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.307 -0.406 . . . . 72.31 111.532 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.17 22.15 7.33 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 116.223 -0.444 . . . . 70.22 112.982 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.6 p -135.24 -179.43 5.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.758 0.314 . . . . 71.44 111.346 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HB3' HD13 ' A' ' 81' ' ' LEU . 5.2 pt-20 -142.57 150.14 39.98 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.618 0.599 . . . . 44.15 112.618 -175.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.36 146.8 15.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.154 -0.475 . . . . 62.24 111.14 171.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.447 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 28.4 ptt-85 -94.46 170.21 9.65 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.232 0.539 . . . . 71.34 112.165 -175.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -139.47 145.32 38.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.016 0.436 . . . . 71.35 111.064 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.3 m -83.59 85.67 7.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.896 0.379 . . . . 61.41 111.863 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -57.81 -26.61 62.21 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.978 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -63.6 -24.79 67.95 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.915 0.388 . . . . 71.2 111.651 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -110.58 79.81 1.24 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.182 0.515 . . . . 72.53 110.379 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.408 ' SG ' ' NH2' ' A' ' 51' ' ' ARG . 24.8 p -125.99 -58.88 1.36 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.241 -0.436 . . . . 55.13 111.757 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -73.09 88.65 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 121.118 0.485 . . . . 73.53 111.03 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.2 mt -141.69 134.48 28.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.158 0.504 . . . . 75.44 110.973 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -96.5 -66.68 0.89 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.989 -0.55 . . . . 63.55 109.98 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.49 -83.7 0.6 Allowed 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.542 -0.299 . . . . 71.44 110.65 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -151.29 122.78 7.89 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.834 0.679 . . . . 73.11 112.834 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -132.34 126.49 33.38 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.575 -0.739 . . . . 71.24 109.097 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.3 m80 72.87 86.51 0.11 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.083 0.553 . . . . 60.52 109.762 -167.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -112.79 169.73 8.7 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.539 0.685 . . . . 75.15 112.625 -173.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.6 m80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.302 -0.863 . . . . 62.15 110.299 170.031 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 120.836 0.351 . . . . 61.3 111.674 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.29 114.9 18.59 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.572 0.582 . . . . 75.43 112.572 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -93.69 37.36 1.07 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.227 0.537 . . . . 74.21 110.683 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.81 167.38 22.44 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.946 -0.57 . . . . 43.35 110.929 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 66.48 156.3 0.13 Allowed Pre-proline 0 N--CA 1.478 0.953 0 N-CA-C 112.433 0.531 . . . . 73.11 112.433 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 38.5 Cg_exo -59.44 146.68 94.24 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.379 2.052 . . . . 64.42 112.446 174.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.8 mp -77.01 95.73 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.898 0.38 . . . . 62.31 111.024 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 37.4 tt0 -103.19 118.87 37.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.116 0.484 . . . . 75.35 111.166 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.8 mt -126.1 125.2 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.286 -0.415 . . . . 61.04 111.255 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.18 32.91 22.45 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.071 0.397 . . . . 65.54 112.071 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.41 -10.05 62.67 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.961 -0.638 . . . . 54.11 113.376 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -91.53 108.89 20.21 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.13 -0.322 . . . . 73.25 110.13 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -87.34 135.27 33.39 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.257 0.551 . . . . 71.03 112.322 -176.229 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' HE2' ' HE1' ' A' ' 44' ' ' PHE . 64.3 m-85 -126.77 119.3 26.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.984 -0.553 . . . . 75.21 110.414 174.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -60.09 -24.07 64.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.969 0.414 . . . . 61.42 112.01 -178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -144.98 144.34 30.99 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.322 -0.399 . . . . 74.21 111.207 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 95' ' ' CYS . 52.5 tptt -57.7 -35.5 70.71 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.799 0.296 . . . . 73.34 111.799 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.97 -47.52 74.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 72.33 111.421 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.67 -36.69 79.37 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.274 -0.421 . . . . 74.14 111.02 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.73 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.122 -0.49 . . . . 62.44 111.66 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.672 0.272 . . . . 74.23 111.07 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.56 -46.82 86.07 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.967 0.413 . . . . 73.01 110.852 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.72 -48.8 78.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.014 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -56.87 -49.37 75.7 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.135 -0.484 . . . . 70.53 111.251 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.55 -51.21 70.81 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.057 -0.519 . . . . 73.34 112.003 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' ALA . 96.7 t -56.94 -59.24 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 111.81 0.3 . . . . 74.21 111.81 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -58.93 -30.94 68.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.706 0.289 . . . . 63.54 111.263 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.75 -47.78 71.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.064 0.459 . . . . 65.4 111.436 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.5 -20.17 66.04 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.608 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 28.7 mmt180 -68.79 -23.25 64.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.902 0.382 . . . . 60.24 110.94 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -93.56 168.71 10.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.183 0.516 . . . . 74.42 110.772 173.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.63 165.12 14.31 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.157 -0.474 . . . . 74.34 109.952 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -67.35 35.36 0.15 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 122.722 2.282 . . . . 60.41 114.381 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.39 31.84 0.13 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 121.046 -0.597 . . . . 71.54 113.622 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.08 172.26 7.04 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.47 0.653 . . . . 71.34 112.425 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -99.88 139.52 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.647 -0.706 . . . . 73.14 110.88 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.4 145.38 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.822 0.344 . . . . 71.43 111.808 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -79.97 -176.72 5.64 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.842 0.682 . . . . 61.32 112.842 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.1 m -59.69 -68.25 0.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.923 0.712 . . . . 74.22 112.923 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.54 -44.61 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.213 0.53 . . . . 71.42 111.305 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 m-20 -56.7 -45.91 81.55 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.578 -0.737 . . . . 73.24 111.078 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -68.38 -42.91 80.81 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 116.261 -0.427 . . . . 40.01 113.02 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.52 87.73 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.128 0.49 . . . . 64.11 110.869 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' HE1' ' HE2' ' A' ' 14' ' ' PHE . 84.1 t80 -55.84 -44.99 78.52 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.741 -0.663 . . . . 74.24 111.043 175.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 94.1 mt -61.23 -43.35 99.01 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.117 -0.492 . . . . 73.24 111.798 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 42' ' ' GLY . 62.3 t -58.2 -46.9 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.194 0.521 . . . . 71.14 111.109 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.93 -34.47 77.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.14 -0.482 . . . . 75.43 111.439 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.22 61.37 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.881 0.372 . . . . 64.54 111.462 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.81 -48.24 15.15 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.29 -0.414 . . . . 71.03 111.687 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.56 -26.28 54.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.94 0.718 . . . . 73.55 112.94 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -81.21 20.14 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.047 0.451 . . . . 75.44 112.072 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -114.49 140.23 24.94 Favored Pre-proline 0 N--CA 1.471 0.582 0 N-CA-C 109.907 -0.405 . . . . 64.13 109.907 170.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.09 -27.13 83.89 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 121.982 1.788 . . . . 35.32 111.943 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 2.3 m-20 -73.62 -15.9 61.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.638 -0.71 . . . . 64.5 111.69 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.6 62.25 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.72 0.637 . . . . 51.44 112.72 -174.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 t -49.77 -40.11 40.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.904 0.383 . . . . 54.1 111.748 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -82.72 -33.98 27.39 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.004 0.43 . . . . 71.22 111.633 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 51.9 mttm -83.98 -6.76 59.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.57 0.581 . . . . 52.05 112.57 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.5 mt -110.11 -57.3 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.99 0.424 . . . . 73.41 110.881 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.36 -116.4 9.11 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 116.22 -0.445 . . . . 72.5 113.475 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.71 -20.82 15.16 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.718 2.279 . . . . 63.04 113.232 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.61 173.84 23.21 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.852 -0.69 . . . . 54.35 113.453 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 57.3 t -114.69 121.25 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 73.0 111.148 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -73.75 -52.68 12.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.727 0.299 . . . . 61.33 110.322 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -171.92 -177.4 1.92 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.227 0.536 . . . . 71.0 111.418 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -120.1 143.74 47.99 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.038 -0.528 . . . . 65.21 110.508 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.03 141.69 51.97 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.904 0.383 . . . . 73.22 111.398 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -101.13 120.79 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.919 0.39 . . . . 72.31 111.737 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -133.37 165.16 25.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.851 0.358 . . . . 75.2 111.027 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t -78.79 85.78 4.76 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.051 -0.722 . . . . 74.42 109.051 169.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 77' ' ' CYS . . . -60.24 -69.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.819 0.674 . . . . 55.2 112.819 -171.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -153.31 159.17 42.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.829 0.347 . . . . 65.31 111.881 -176.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 56.8 23.56 8.16 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.857 0.688 . . . . 75.31 112.857 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.26 22.47 77.5 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.021 -0.609 . . . . 52.13 113.027 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.8 p -120.39 135.53 55.01 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.008 0.433 . . . . 70.01 111.439 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.03 152.22 44.01 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.091 -0.504 . . . . 63.42 111.563 177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 90.6 m -152.68 161.85 42.03 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.397 -0.365 . . . . 52.43 110.847 174.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -90.56 131.47 36.26 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.115 0.483 . . . . 65.22 111.792 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -101.98 130.97 48.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.047 -0.524 . . . . 70.21 110.858 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.91 107.86 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.575 0.226 . . . . 75.33 111.451 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.1 mm? -96.51 107.04 19.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.776 0.322 . . . . 63.44 110.454 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.534 ' NH1' ' HA ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -83.74 157.57 22.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.709 0.29 . . . . 65.55 111.573 -178.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.9 p -59.51 -28.78 67.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.369 0.604 . . . . 75.34 110.764 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -58.99 -26.37 64.45 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.552 -0.749 . . . . 73.32 111.596 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.38 -32.53 6.92 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 116.384 -0.371 . . . . 75.22 112.495 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -59.32 142.64 51.57 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.218 0.451 . . . . 70.54 112.218 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.422 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -114.7 157.29 23.36 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.765 178.191 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -154.81 115.84 3.99 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.186 0.517 . . . . 73.22 112.201 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.479 ' HD2' ' HB1' ' A' ' 71' ' ' ALA . 8.2 ttp180 -68.36 125.62 27.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.973 -0.558 . . . . 72.13 110.152 168.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -120.05 125.24 47.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.474 0.654 . . . . 75.53 111.096 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -72.59 88.45 1.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 45.12 111.68 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.631 ' HA ' ' SG ' ' A' ' 95' ' ' CYS . 37.6 p90 -55.92 -31.97 63.36 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.485 0.66 . . . . 73.44 110.342 174.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -59.08 -20.62 55.01 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.293 -0.867 . . . . 73.41 112.383 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -113.96 21.68 14.64 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.052 0.453 . . . . 63.45 111.854 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.631 ' SG ' ' HA ' ' A' ' 92' ' ' TYR . 89.1 m -84.12 38.06 0.64 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.087 0.47 . . . . 72.41 110.815 173.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.9 t -125.68 -64.88 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.906 -0.588 . . . . 65.14 110.261 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.7 mt -130.4 163.41 26.97 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.745 -0.662 . . . . 74.24 110.635 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.77 -170.81 2.28 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.583 0.586 . . . . 73.31 112.583 -174.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -65.62 -53.81 36.46 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.676 0.991 . . . . 75.45 113.676 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -177.86 97.91 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.638 0.256 . . . . 75.13 111.061 -172.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -60.12 150.08 30.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.601 0.715 . . . . 71.55 112.335 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -131.2 148.22 52.68 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.405 -0.816 . . . . 64.44 111.256 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -76.39 -42.95 42.72 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.127 0.489 . . . . 74.35 110.769 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.83 -0.605 . . . . 71.12 110.773 177.094 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.709 0.29 . . . . 73.24 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.78 99.94 5.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.132 0.491 . . . . 50.45 111.802 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 11.44 20.48 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.335 -0.393 . . . . 72.12 110.732 173.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.42 167.07 12.73 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.432 -0.349 . . . . 70.53 111.819 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 69.93 149.63 0.12 Allowed Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 123.177 0.591 . . . . 73.34 112.398 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 12.6 Cg_exo -70.89 175.72 8.64 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.573 2.182 . . . . 65.04 112.424 176.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.3 mp -71.36 88.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.039 0.447 . . . . 75.11 110.059 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.36 130.47 35.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.967 0.413 . . . . 53.14 111.295 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mt -138.0 113.66 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.357 -0.383 . . . . 65.34 110.727 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.94 25.56 15.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.922 0.392 . . . . 71.43 111.909 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.45 -11.09 69.0 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.323 -0.465 . . . . 55.1 113.164 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -83.27 117.83 23.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.413 -0.463 . . . . 74.21 110.486 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -91.9 121.85 33.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.339 0.59 . . . . 54.14 112.136 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 85.6 m-85 -115.36 110.31 19.18 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.965 0.412 . . . . 74.43 110.855 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.83 -3.81 10.74 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.687 0.625 . . . . 73.21 112.687 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -152.85 139.32 18.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.405 0.282 . . . . 54.13 110.584 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.544 ' HG3' HG13 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -58.78 -43.49 90.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.858 0.361 . . . . 65.22 111.544 -179.23 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.63 65.69 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.931 0.345 . . . . 54.23 111.931 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.51 -44.24 78.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.106 0.479 . . . . 65.44 110.014 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.74 -46.28 90.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.884 -0.598 . . . . 64.03 111.735 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.25 -43.78 98.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.51 -0.314 . . . . 74.42 111.027 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.97 -47.8 83.84 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.294 -0.412 . . . . 64.32 111.176 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.8 -53.72 55.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.3 -0.409 . . . . 73.12 111.419 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.2 mtm -62.16 -36.16 81.0 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.466 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -62.6 -49.41 75.33 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.841 0.353 . . . . 73.23 110.344 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' ALA . 79.1 t -57.12 -57.01 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.389 -0.368 . . . . 73.45 111.455 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -57.41 -39.63 76.58 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.792 0.329 . . . . 64.3 110.92 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.41 -41.78 81.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.225 0.536 . . . . 64.43 111.215 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -79.75 9.53 5.06 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.993 -0.549 . . . . 72.23 112.289 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 26' ' ' VAL . 2.3 mpt_? -103.59 -6.89 21.24 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.953 0.406 . . . . 71.52 111.019 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' HB2' HG21 ' A' ' 68' ' ' VAL . 84.9 m-85 -107.33 156.44 18.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 75.43 110.102 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.544 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -83.21 155.69 66.77 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 109.861 -0.422 . . . . 75.14 109.861 176.306 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 68' ' ' VAL . 55.9 Cg_endo -67.56 26.71 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.275 0 C-N-CA 122.838 2.359 . . . . 61.41 114.763 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.3 32.48 0.2 Allowed Glycine 0 CA--C 1.528 0.852 0 C-N-CA 120.991 -0.623 . . . . 73.42 113.498 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 6.5 m-20 -122.26 172.22 8.45 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.438 0.637 . . . . 75.13 112.666 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.536 HD13 ' HG2' ' A' ' 67' ' ' GLU . 42.0 mm -74.49 139.32 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.374 -0.83 . . . . 63.42 112.364 -176.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -82.8 150.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.172 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 p -68.17 171.65 6.76 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.289 0.566 . . . . 61.24 112.324 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.3 m -64.22 -48.29 76.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.058 -0.519 . . . . 75.32 111.536 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.33 -52.7 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.175 -0.466 . . . . 64.43 111.438 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.46 -40.72 68.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.941 0.4 . . . . 63.14 111.11 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -59.12 -53.7 44.16 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.352 -0.452 . . . . 73.5 112.836 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.79 73.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.139 0.495 . . . . 62.52 111.277 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -58.66 -51.56 69.4 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.789 -0.641 . . . . 70.21 110.684 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.47 -35.18 73.59 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.992 -0.549 . . . . 73.42 112.136 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 50' ' ' LYS . 88.1 t -57.27 -51.78 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 120.885 0.374 . . . . 70.1 111.454 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -62.43 -41.29 98.61 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.782 0.325 . . . . 71.22 111.435 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -34.72 76.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.084 0.469 . . . . 61.42 111.233 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 tp -67.98 -39.02 83.38 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.992 -0.549 . . . . 64.34 111.537 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.2 mttt -59.0 -14.57 9.75 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.053 0.76 . . . . 73.31 113.053 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.632 ' HB2' ' SG ' ' A' ' 95' ' ' CYS . 15.8 mtm180 -90.05 13.9 13.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.29 0.567 . . . . 73.52 111.099 176.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -102.95 136.84 19.18 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.008 -0.542 . . . . 71.24 111.521 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.87 -22.04 49.57 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.057 1.838 . . . . 70.1 111.427 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.08 -1.98 58.03 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.639 -0.709 . . . . 74.54 112.123 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.2 -45.11 79.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.228 0.455 . . . . 75.4 112.228 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -56.98 -25.0 57.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.925 0.393 . . . . 73.01 111.838 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -89.85 -35.31 15.72 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.667 0.387 . . . . 63.05 111.436 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -72.78 -31.6 64.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.992 0.425 . . . . 43.11 111.722 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 63' ' ' VAL . 72.2 mt -80.22 -44.05 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 116.334 -0.394 . . . . 63.41 111.233 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.23 -113.84 5.83 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 121.409 -0.424 . . . . 61.51 113.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.29 -20.35 8.5 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.568 2.178 . . . . 65.32 113.128 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.52 150.36 5.37 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.32 -0.467 . . . . 43.14 113.148 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 59' ' ' ILE . 58.8 t -87.71 115.12 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.041 0.448 . . . . 72.51 111.382 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -81.95 -55.96 4.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.925 0.393 . . . . 74.04 111.074 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -162.3 -175.79 4.75 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.935 0.397 . . . . 72.24 111.198 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.461 ' CE2' HG12 ' A' ' 80' ' ' ILE . 79.6 m-85 -127.67 144.55 51.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.499 -0.319 . . . . 54.2 111.059 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HG2' HD13 ' A' ' 36' ' ' ILE . 44.0 mt-10 -129.93 151.85 50.04 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.034 0.445 . . . . 72.53 111.144 175.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 31' ' ' TYR . 58.4 t -89.93 147.1 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.084 0.469 . . . . 65.15 111.596 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 3.5 tpm_? -141.45 163.58 32.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.368 -0.378 . . . . 75.12 110.46 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 57.6 p -73.38 159.38 33.39 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.649 0.262 . . . . 71.11 111.001 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -145.3 -177.56 5.62 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.299 0.571 . . . . 75.1 112.067 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.08 155.85 23.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.791 -0.64 . . . . 72.23 112.362 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 62.03 18.94 10.39 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.15 -0.477 . . . . 71.22 111.488 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.46 30.87 68.61 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.119 -0.562 . . . . 73.1 112.951 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 p -100.09 -162.65 0.96 Allowed 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.847 0.356 . . . . 74.42 111.234 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -129.39 167.16 18.2 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.747 0.308 . . . . 65.43 111.492 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 69' ' ' ARG . 28.0 p -149.5 157.25 43.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.888 0.375 . . . . 73.44 111.527 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.93 133.94 43.57 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.28 -0.418 . . . . 74.44 111.377 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -115.38 138.76 50.65 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.192 0.52 . . . . 75.12 111.802 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.461 HG12 ' CE2' ' A' ' 66' ' ' PHE . 48.1 mt -90.16 113.87 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.749 -0.659 . . . . 75.23 111.499 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.9 mm? -87.14 103.48 15.45 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.14 0.495 . . . . 72.14 110.584 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -79.91 148.37 31.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.858 -0.61 . . . . 64.44 111.697 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -58.65 -21.13 53.22 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.385 0.612 . . . . 73.03 110.852 175.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -52.65 -43.95 65.81 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.441 -0.799 . . . . 71.42 111.91 171.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.59 6.92 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.914 -0.66 . . . . 52.1 113.288 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.6 m -104.72 136.03 44.99 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.388 0.613 . . . . 50.1 112.078 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.56 ' HB3' HD13 ' A' ' 81' ' ' LEU . 9.1 pt-20 -83.85 155.17 23.08 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.843 -0.617 . . . . 63.3 111.934 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -155.08 140.89 18.14 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.035 -0.53 . . . . 74.25 110.624 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -96.45 169.32 9.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.704 0.764 . . . . 74.3 112.755 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -142.96 132.01 23.04 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.679 -0.691 . . . . 63.34 110.557 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 p -70.65 97.5 1.35 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.116 0.484 . . . . 40.1 111.203 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.65 -38.13 88.49 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.326 0.491 . . . . 72.31 112.326 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -4.99 36.88 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.558 0.577 . . . . 74.53 112.558 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -97.54 -0.32 46.13 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.997 0.427 . . . . 71.2 111.307 174.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' A' ' 51' ' ' ARG . 51.4 t -91.12 53.08 2.26 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.464 0.65 . . . . 74.24 110.347 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.544 HG13 ' HG3' ' A' ' 17' ' ' LYS . 59.0 t -80.1 -76.8 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.336 -0.847 . . . . 72.33 112.13 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 98' ' ' GLU . 2.0 tm? 178.6 152.16 0.32 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.612 -0.514 . . . . 75.14 109.612 -173.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.664 ' N ' HD13 ' A' ' 97' ' ' LEU . 69.0 mt-10 -56.5 113.0 1.42 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 120.839 0.352 . . . . 73.43 111.642 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -129.56 147.28 51.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.911 0.386 . . . . 70.51 111.448 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -56.49 164.4 1.42 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.985 0.735 . . . . 73.03 112.985 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -74.39 173.96 9.55 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.149 0.5 . . . . 41.35 112.046 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -84.09 149.51 26.17 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.041 -0.527 . . . . 63.43 111.441 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -143.57 15.11 1.79 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.302 0.482 . . . . 74.11 112.302 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.0 p80 . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.68 -0.676 . . . . 75.11 110.821 175.745 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 112.152 0.426 . . . . 71.32 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.77 110.86 3.43 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.995 0.426 . . . . 52.31 111.614 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -151.83 -160.66 1.18 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.882 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.42 88.88 0.33 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.101 0.477 . . . . 75.25 110.352 171.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -116.44 150.51 45.58 Favored Pre-proline 0 N--CA 1.47 0.541 0 CA-C-N 116.019 -0.537 . . . . 73.22 111.427 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.12 140.55 72.22 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 122.684 2.256 . . . . 72.15 113.055 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -80.03 102.76 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 120.975 0.417 . . . . 54.34 111.216 -177.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -91.92 114.37 26.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.029 0.442 . . . . 64.11 111.065 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -126.89 110.43 23.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.463 -0.335 . . . . 71.24 111.319 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.07 33.22 22.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.003 0.43 . . . . 70.52 111.958 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 -22.41 39.59 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.49 -0.386 . . . . 72.14 112.972 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -78.66 104.68 9.43 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.734 0.302 . . . . 55.53 110.762 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -88.66 111.16 21.6 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.347 -0.388 . . . . 55.34 111.889 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.425 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 83.6 m-85 -94.38 123.84 38.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.41 -0.359 . . . . 74.55 111.15 177.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.251 0.463 . . . . 74.55 112.251 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HG2' ' OD2' ' A' ' 19' ' ' ASP . 19.6 ptp180 -130.06 165.68 21.73 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.879 0.371 . . . . 74.52 110.954 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.786 ' HE2' ' HA ' ' A' ' 96' ' ' VAL . 36.3 tptt -63.34 -38.47 91.29 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.354 0.597 . . . . 73.05 110.849 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.22 62.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.474 -0.784 . . . . 65.31 112.232 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' OD2' ' HG2' ' A' ' 16' ' ' ARG . 33.5 m-20 -62.17 -48.06 81.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.934 0.397 . . . . 54.4 111.286 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.45 84.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.281 -0.418 . . . . 71.13 111.734 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 93' ' ' LYS . 56.1 mt -64.13 -46.98 81.74 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.95 0.405 . . . . 75.41 111.607 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.0 -52.1 66.42 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.89 0.376 . . . . 74.44 111.511 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 27' ' ' MET . 88.9 t80 -53.2 -61.36 2.35 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.98 -0.554 . . . . 73.23 111.592 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.12 -31.39 68.89 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.612 0.597 . . . . 74.23 112.612 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -68.83 -47.56 65.71 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.87 -0.519 . . . . 72.13 111.225 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.7 t -53.31 -58.28 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 120.67 0.271 . . . . 63.22 111.443 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 11.9 ptm -57.06 -41.09 78.09 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.376 -0.374 . . . . 71.21 111.538 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 68' ' ' VAL . 53.7 tp -58.14 -41.14 83.05 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.019 0.438 . . . . 72.11 111.616 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -67.44 -21.35 65.56 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.333 -0.394 . . . . 70.11 111.997 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -76.55 -11.77 59.92 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.082 0.468 . . . . 75.3 110.982 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' HB2' HG21 ' A' ' 68' ' ' VAL . 90.7 m-85 -105.13 162.01 13.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.165 -0.47 . . . . 75.03 109.845 170.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.479 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 33.8 mtp180 -106.81 159.77 28.71 Favored Pre-proline 0 CA--C 1.538 0.508 0 O-C-N 122.123 -0.36 . . . . 71.44 110.843 176.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -65.06 26.0 0.08 OUTLIER 'Trans proline' 0 CA--C 1.552 1.396 0 C-N-CA 122.979 2.453 . . . . 61.3 114.469 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -156.03 33.41 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 112.15 -0.38 . . . . 61.34 112.15 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 m-20 -136.03 162.55 32.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.03 0.443 . . . . 72.3 111.759 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.27 144.89 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 121.155 0.502 . . . . 75.34 111.677 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.11 141.83 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.236 -0.438 . . . . 74.04 111.194 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -55.31 144.41 25.08 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.948 0.404 . . . . 74.32 111.852 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -58.97 -38.67 79.63 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.218 0.451 . . . . 64.23 112.218 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.65 -55.55 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 121.085 0.469 . . . . 65.1 111.128 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.89 -34.68 68.13 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.123 -0.489 . . . . 64.12 111.109 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -60.35 -46.09 94.96 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-N 116.171 -0.468 . . . . 71.35 112.751 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.77 -40.2 72.28 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.093 0.473 . . . . 71.54 111.095 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -59.82 -50.33 74.22 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.857 -0.61 . . . . 71.44 110.761 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.41 -35.9 74.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.854 -0.612 . . . . 71.42 112.016 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' HE3' ' A' ' 50' ' ' LYS . 89.4 t -57.82 -48.61 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 120.804 0.335 . . . . 74.45 111.034 176.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 50.1 mm-40 -67.61 -38.94 84.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.973 0.416 . . . . 70.33 110.76 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -32.27 70.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.151 0.501 . . . . 71.51 111.131 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD22 HD13 ' A' ' 80' ' ' ILE . 51.2 tp -73.39 -41.14 63.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.062 -0.517 . . . . 70.24 110.995 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HE3' HG12 ' A' ' 46' ' ' VAL . 98.6 mttt -60.09 -25.21 65.24 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.085 0.469 . . . . 62.43 111.562 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.3 mmp_? -62.33 -14.78 43.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.555 175.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -101.19 144.29 28.28 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 122.742 0.417 . . . . 75.22 111.238 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.05 -16.76 40.79 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.26 1.973 . . . . 61.2 111.732 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.53 -9.43 59.33 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.783 -0.644 . . . . 64.02 111.635 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.96 20.79 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.068 0.766 . . . . 51.34 113.068 -173.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -51.52 -35.58 41.11 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.951 0.405 . . . . 70.31 112.082 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -81.68 -41.34 21.5 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.987 0.423 . . . . 70.15 111.387 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -75.53 -20.77 58.48 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.347 0.499 . . . . 64.3 112.347 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.6 -55.46 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.925 0.393 . . . . 73.45 111.144 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.37 -115.48 7.96 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.242 -0.504 . . . . 70.2 113.291 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 56.9 Cg_endo -69.61 -23.34 31.58 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.657 2.238 . . . . 62.4 113.045 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.03 167.5 12.26 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.98 -0.628 . . . . 54.43 113.213 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.54 118.74 48.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.016 0.436 . . . . 60.23 111.225 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -86.03 -46.95 10.02 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.894 0.378 . . . . 72.24 111.184 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -170.55 176.42 4.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.074 0.464 . . . . 72.25 111.141 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.75 132.22 55.57 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.374 -0.376 . . . . 71.31 110.687 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -121.63 139.03 54.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.416 -0.356 . . . . 72.24 110.382 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 28' ' ' LEU . 68.6 t -87.97 134.8 27.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.835 0.35 . . . . 75.21 111.599 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 12.5 ttm-85 -141.91 -175.2 4.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.481 -0.327 . . . . 73.24 110.223 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.9 p -75.81 167.0 22.69 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.265 0.555 . . . . 63.3 112.29 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.67 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -138.5 -77.92 0.36 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.855 -0.611 . . . . 64.13 111.25 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -87.04 -160.75 0.62 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.429 -0.35 . . . . 63.14 110.526 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -56.62 -31.81 64.68 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.417 0.525 . . . . 70.44 112.417 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.8 30.16 0.92 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 120.685 -0.769 . . . . 60.53 114.016 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.6 p -114.92 179.71 3.87 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.536 0.668 . . . . 74.24 112.051 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -121.03 168.29 11.68 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.086 -0.506 . . . . 71.0 112.048 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 20.6 m -153.53 154.06 33.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.063 -0.517 . . . . 72.21 111.121 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -82.43 119.75 24.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.463 -0.335 . . . . 74.45 111.189 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.441 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 42.5 m95 -101.61 127.27 48.41 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.559 0.695 . . . . 74.21 111.649 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 33.8 mt -83.89 103.56 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.468 -0.787 . . . . 63.35 111.896 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -80.02 104.79 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 75.43 110.122 173.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -81.89 151.38 27.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 71.14 111.764 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.0 p -59.5 -17.85 35.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.011 0.434 . . . . 70.04 111.732 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.55 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 5.2 t70 -54.4 -39.71 67.52 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.023 -0.535 . . . . 72.33 111.284 171.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.64 -34.25 3.07 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 115.749 -0.66 . . . . 41.31 112.218 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.4 t -88.64 167.55 13.27 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.458 0.647 . . . . 75.23 112.146 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HB3' HD13 ' A' ' 81' ' ' LEU . 10.8 pt-20 -104.77 177.35 4.87 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.841 -0.618 . . . . 70.22 112.03 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 14.6 tp10 -158.29 168.11 27.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.596 -0.729 . . . . 75.02 109.403 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -140.15 152.43 46.06 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.639 -0.663 . . . . 75.02 112.029 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -138.53 110.78 7.38 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.318 0.58 . . . . 61.13 110.176 171.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -76.78 74.85 3.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.218 0.532 . . . . 65.11 111.419 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -52.12 -31.18 29.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.691 -0.686 . . . . 73.1 112.545 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HG3' ' HG2' ' A' ' 94' ' ' LYS . 47.5 pttt -54.92 -29.21 55.61 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.065 0.765 . . . . 71.22 113.065 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.574 ' HG2' ' HG3' ' A' ' 93' ' ' LYS . 14.5 mmmm -111.77 22.03 15.4 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.954 0.407 . . . . 72.4 111.68 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.9 t -101.15 43.01 1.08 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.309 0.576 . . . . 55.32 110.787 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.786 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 60.1 t -98.21 -77.1 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 116.154 -0.476 . . . . 65.11 111.56 -177.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 98' ' ' GLU . 1.2 tm? -171.93 149.2 2.41 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.221 -0.659 . . . . 74.32 109.221 -175.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.633 ' N ' HD13 ' A' ' 97' ' ' LEU . 44.1 mt-10 -46.56 117.91 1.8 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.185 0.517 . . . . 73.14 111.865 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -49.21 144.67 4.93 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.777 1.029 . . . . 74.12 113.777 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -127.89 12.76 6.78 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.376 0.608 . . . . 74.55 110.735 174.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -166.95 145.03 4.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.66 -0.7 . . . . 74.45 109.925 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -153.54 115.57 4.32 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.913 0.387 . . . . 73.21 111.978 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -74.48 143.63 44.54 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.384 -0.371 . . . . 75.42 110.891 174.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 118.873 -0.584 . . . . 74.31 110.964 177.145 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.726 0.298 . . . . 74.54 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.3 164.62 19.87 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.071 0.463 . . . . 63.52 111.901 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -78.5 -15.6 58.43 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.242 -0.436 . . . . 71.42 111.411 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.62 95.09 4.49 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.909 0.385 . . . . 75.11 111.402 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -114.14 154.42 46.19 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.14 -0.482 . . . . 71.11 111.331 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -65.8 142.84 71.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.429 2.086 . . . . 70.2 112.566 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -72.96 94.02 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.262 0.553 . . . . 63.03 110.326 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -87.91 110.46 20.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.254 0.55 . . . . 51.41 111.972 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt -124.56 120.3 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.86 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 47' ' ' GLU . . . 56.52 34.67 24.75 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.968 0.413 . . . . 62.43 111.966 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.74 -26.23 17.38 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 121.214 -0.517 . . . . 54.52 113.209 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -75.88 115.66 15.8 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.78 -0.247 . . . . 63.41 111.32 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -94.07 106.47 18.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.003 0.43 . . . . 51.13 111.121 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.71 139.47 30.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.861 0.362 . . . . 73.13 111.897 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.99 74.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.974 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -158.26 172.39 18.46 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.416 -0.357 . . . . 71.24 110.698 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HE2' HD21 ' A' ' 21' ' ' LEU . 22.3 tptm -57.25 -41.61 79.95 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.281 -0.262 . . . . 55.43 111.209 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.1 76.1 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.977 0.418 . . . . 60.32 111.662 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.27 -38.86 88.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.239 0.542 . . . . 63.14 110.314 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.53 83.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.018 -0.537 . . . . 72.4 111.071 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 93' ' ' LYS . 84.0 mt -64.08 -32.03 73.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.358 -0.383 . . . . 72.31 110.882 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.94 -22.98 66.07 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.338 -0.392 . . . . 64.42 111.712 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 27' ' ' MET . 66.3 t80 -91.68 -56.87 2.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.113 0.482 . . . . 63.35 110.304 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.7 mtm -59.78 -46.01 90.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.971 0.73 . . . . 74.24 112.971 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.48 -42.09 98.58 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.025 -0.422 . . . . 52.02 111.462 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.08 -38.28 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 121.025 -0.27 . . . . 74.53 111.324 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 23' ' ' PHE . 47.7 mtm -60.02 -49.08 79.06 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.093 0.473 . . . . 71.22 109.77 173.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -52.95 -48.66 67.19 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.769 -0.65 . . . . 73.51 111.08 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -71.36 -24.96 62.18 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.917 -0.583 . . . . 74.4 111.797 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.39 -34.35 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.056 0.455 . . . . 73.12 110.714 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -97.97 156.62 16.54 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.995 0.426 . . . . 71.43 110.365 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 75.9 mtm180 -84.75 163.61 45.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 122.118 -0.364 . . . . 71.22 110.553 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -65.93 31.49 0.11 Allowed 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 122.954 2.436 . . . . 53.14 114.634 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.34 34.23 0.23 Allowed Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.087 -0.577 . . . . 53.34 113.462 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 15.2 m-20 -125.75 161.08 28.13 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.347 0.594 . . . . 72.55 112.278 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.2 148.7 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.834 -0.621 . . . . 73.31 111.563 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -84.15 145.53 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 116.173 -0.467 . . . . 63.0 111.112 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.9 p -71.91 176.56 4.9 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.228 0.537 . . . . 60.14 112.308 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -61.2 -53.95 50.47 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.014 -0.539 . . . . 75.43 111.899 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.11 -55.37 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 116.269 -0.423 . . . . 64.23 111.561 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -44.56 66.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.042 0.449 . . . . 73.24 111.05 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.479 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.51 -49.91 69.33 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.179 -0.464 . . . . 74.22 113.28 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.55 -37.62 73.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.112 0.482 . . . . 72.25 111.146 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -59.99 -48.75 80.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.796 -0.638 . . . . 73.23 110.553 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.64 -37.79 79.63 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.05 -0.523 . . . . 33.05 111.81 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 42' ' ' GLY . 95.7 t -56.78 -47.51 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.942 0.401 . . . . 74.5 110.934 175.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 48.9 mm-40 -64.22 -48.63 75.09 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.429 -0.351 . . . . 72.31 111.495 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.97 64.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.302 0.572 . . . . 52.31 110.902 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' HG ' ' HB1' ' A' ' 55' ' ' ALA . 55.6 tp -64.67 -56.53 13.22 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.712 -0.676 . . . . 54.22 110.685 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.65 -21.24 38.7 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.475 0.917 . . . . 74.23 113.475 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.0 mmp_? -58.68 -17.08 19.52 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.947 0.403 . . . . 73.14 111.372 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.65 ' NE2' ' SG ' ' A' ' 95' ' ' CYS . 68.3 m80 -97.29 142.1 24.03 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 116.367 -0.379 . . . . 73.13 111.328 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.38 -34.76 65.02 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.575 2.183 . . . . 74.14 113.263 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.38 3.71 45.95 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.317 0.488 . . . . 71.14 112.317 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB1' ' HG ' ' A' ' 49' ' ' LEU . . . -59.51 -50.36 74.22 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.107 0.41 . . . . 72.13 112.107 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -46.9 -33.69 4.78 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.306 0.484 . . . . 62.12 112.306 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -60.58 -46.55 89.82 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.202 0.525 . . . . 72.05 111.419 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 33.6 mmtp -90.87 8.35 35.38 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.29 -0.413 . . . . 65.23 111.813 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 55' ' ' ALA . 79.3 mt -96.48 -55.71 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 120.808 0.337 . . . . 75.22 110.38 171.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.18 -127.67 27.32 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 116.049 -0.523 . . . . 61.5 113.794 176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HG2' ' OG1' ' A' ' 83' ' ' THR . 73.7 Cg_endo -71.64 -22.34 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.044 2.496 . . . . 74.22 113.676 -176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.51 175.33 28.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.665 -0.778 . . . . 73.1 113.708 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.573 HG22 HH22 ' A' ' 82' ' ' ARG . 94.6 t -97.24 114.31 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.984 0.421 . . . . 52.22 111.798 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -56.0 5.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 74.54 109.736 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -170.64 176.03 4.42 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.275 0.56 . . . . 73.24 111.451 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -119.34 149.45 41.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.809 -0.632 . . . . 72.2 109.765 170.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -136.29 134.66 38.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.001 0.429 . . . . 53.25 111.753 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -88.4 103.45 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.233 -0.44 . . . . 53.35 110.084 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 79.6 ttt180 -123.46 155.58 37.2 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.575 -0.284 . . . . 75.01 111.008 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.7 p -58.74 159.5 6.69 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.446 0.906 . . . . 64.34 113.446 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.659 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -145.7 -178.08 5.92 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.511 -0.768 . . . . 60.54 111.143 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -71.87 167.92 19.0 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.714 0.293 . . . . 71.02 111.417 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 60.62 18.22 8.21 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.988 0.423 . . . . 73.23 111.39 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.84 29.18 73.5 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 116.242 -0.435 . . . . 41.04 113.352 -176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 p -102.43 -169.24 1.64 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.183 0.516 . . . . 74.32 111.795 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -127.0 172.04 10.82 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.504 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 99.6 m -146.13 144.43 29.97 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 111.969 0.359 . . . . 52.42 111.969 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -83.81 108.73 17.02 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.274 -0.421 . . . . 70.14 110.309 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.543 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 46.4 m95 -87.88 126.85 35.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.233 0.54 . . . . 75.24 112.247 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.541 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 60.1 mt -87.73 95.18 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.59 -0.732 . . . . 45.12 111.107 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.62 124.08 29.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.091 0.472 . . . . 63.11 111.078 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.573 HH22 HG22 ' A' ' 63' ' ' VAL . 5.7 mmp_? -93.76 147.21 23.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.385 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 61' ' ' PRO . 46.7 p -61.78 -21.8 64.88 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.45 -0.341 . . . . 55.41 111.691 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.44 -24.71 67.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.226 0.536 . . . . 73.54 111.41 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.43 -7.58 30.36 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 115.948 -0.569 . . . . 54.3 112.125 -171.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.8 t -83.28 176.03 9.45 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.622 0.369 . . . . 63.24 111.96 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.49 177.87 8.53 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.778 0.658 . . . . 72.42 112.778 -176.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 9.1 tp10 -169.68 155.46 5.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.586 -0.734 . . . . 70.02 110.466 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -133.08 112.53 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.034 0.445 . . . . 75.42 110.789 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.25 136.89 43.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.346 0.594 . . . . 74.43 111.796 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.2 p -78.01 88.16 4.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.917 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -48.4 -41.11 28.11 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.94 -0.573 . . . . 74.1 112.505 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.659 ' HG3' ' H ' ' A' ' 94' ' ' LYS . 59.2 pttt -67.94 -63.53 1.04 Allowed 'General case' 0 CA--C 1.542 0.637 0 O-C-N 122.143 -0.348 . . . . 74.45 111.245 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.659 ' H ' ' HG3' ' A' ' 93' ' ' LYS . 11.5 mptt -80.8 72.92 7.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.366 0.603 . . . . 75.52 110.758 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.65 ' SG ' ' NE2' ' A' ' 52' ' ' HIS . 46.8 t -150.45 13.47 0.75 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.477 -0.783 . . . . 65.21 110.931 178.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.481 HG21 ' HD3' ' A' ' 17' ' ' LYS . 97.9 t -150.38 93.1 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.456 0.702 . . . . 73.5 109.597 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.3 mt -140.06 179.99 6.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 44.23 110.646 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -150.68 129.15 12.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.444 -0.344 . . . . 74.02 111.004 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -62.55 88.17 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.448 0.642 . . . . 52.21 112.2 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -85.6 6.76 25.89 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.624 0.726 . . . . 74.01 110.967 173.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -134.39 150.54 50.9 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.351 -0.84 . . . . 62.5 108.793 167.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -84.18 24.72 0.91 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.347 0.594 . . . . 72.24 111.589 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -134.77 -49.05 0.75 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.606 -0.725 . . . . 52.44 109.994 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--O 1.255 1.389 0 CA-C-O 118.821 -0.609 . . . . 75.42 111.209 169.373 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.6 mmt . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.409 0.147 . . . . 52.22 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.77 162.83 34.51 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.639 0.607 . . . . 54.21 112.639 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -142.56 9.59 1.81 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.67 0.747 . . . . 62.11 110.178 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 5' ' ' GLN . . . -150.62 -165.12 2.18 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.723 -0.671 . . . . 75.1 110.851 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 4' ' ' ALA . 98.3 mt-30 72.57 149.95 0.13 Allowed Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 123.072 0.549 . . . . 73.23 112.245 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.75 162.88 23.46 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 122.595 2.197 . . . . 74.45 112.785 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.5 mp -78.15 84.45 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.243 0.544 . . . . 74.03 110.677 -177.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -88.38 123.18 32.69 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.61 179.039 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 48' ' ' ALA . 68.0 mt -137.0 115.62 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 111.689 0.255 . . . . 74.21 111.689 178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.78 30.79 16.73 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.207 0.817 . . . . 74.11 113.207 173.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.04 23.08 46.53 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.887 -0.673 . . . . 42.45 112.057 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -128.08 95.93 4.32 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.924 0.392 . . . . 72.04 109.982 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 12.1 pt-20 -82.79 105.69 14.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.471 0.653 . . . . 73.25 111.749 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 77.1 m-85 -91.13 117.09 29.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.088 -0.505 . . . . 71.33 110.768 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 -0.47 4.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.113 0.783 . . . . 54.32 113.113 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -167.86 152.29 6.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.341 -0.224 . . . . 75.24 111.116 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 23.4 mmmt -51.79 -48.15 63.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 111.672 0.249 . . . . 62.4 111.672 175.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.71 70.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 120.769 0.319 . . . . 71.53 111.771 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.47 -41.69 90.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.211 0.529 . . . . 73.24 111.046 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.53 66.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.185 -0.461 . . . . 53.33 111.83 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 77.9 mt -61.95 -42.64 99.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.883 0.373 . . . . 70.21 111.515 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.387 -0.369 . . . . 75.41 111.489 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.57 -49.48 76.49 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.089 0.471 . . . . 65.45 110.634 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.8 mtt -58.9 -40.38 84.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.985 -0.552 . . . . 74.45 111.247 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -57.08 -48.71 77.91 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.444 -0.344 . . . . 72.21 111.251 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.2 t -56.58 -58.42 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 112.228 0.455 . . . . 73.31 112.228 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -63.47 -39.33 94.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.782 0.325 . . . . 72.44 111.331 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.25 -45.03 92.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.19 0.519 . . . . 75.14 111.374 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.554 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -74.11 -9.72 58.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.023 -0.535 . . . . 72.33 112.192 -177.141 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -67.11 -35.99 80.96 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.538 -0.541 . . . . 74.54 109.538 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' HB2' HG21 ' A' ' 68' ' ' VAL . 49.3 m-85 -93.85 154.75 17.56 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.011 -0.541 . . . . 74.04 111.454 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 34' ' ' GLY . 34.2 mtp180 -91.09 165.49 21.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.276 -0.42 . . . . 73.32 110.939 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.58 26.19 0.05 OUTLIER 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.102 2.534 . . . . 74.32 114.746 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -154.16 14.04 0.55 Allowed Glycine 0 CA--C 1.527 0.829 0 O-C-N 122.039 -0.413 . . . . 73.33 112.603 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 3.1 m-20 -94.64 160.66 14.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.511 0.672 . . . . 71.01 112.419 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mm -100.14 135.61 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.513 -0.767 . . . . 64.5 110.764 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 62.2 t -69.22 135.41 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 116.425 -0.352 . . . . 70.21 111.759 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -62.67 165.35 6.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.236 0.541 . . . . 61.45 112.185 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.7 m -59.85 -48.6 81.02 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.442 0.534 . . . . 74.21 112.442 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.45 -54.97 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.061 0.458 . . . . 74.25 111.458 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.37 -41.35 69.08 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.97 -0.559 . . . . 73.33 111.035 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.44 -44.41 98.06 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 116.044 -0.525 . . . . 65.21 112.545 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.13 69.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.052 0.453 . . . . 52.13 111.54 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.57 -48.07 76.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.269 0.557 . . . . 74.41 110.656 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.33 -37.07 79.47 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.864 -0.607 . . . . 61.0 111.867 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' GLY . 98.2 t -56.2 -51.68 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 120.709 0.29 . . . . 74.24 111.228 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.82 -45.88 92.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.042 0.449 . . . . 73.22 111.233 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' A' ' 9' ' ' ILE . . . -59.58 -29.93 68.3 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.093 -0.503 . . . . 43.31 111.775 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.94 -48.31 10.11 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.004 0.372 . . . . 75.52 112.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 46' ' ' VAL . 52.1 mtmt -57.86 -27.01 62.85 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.922 0.712 . . . . 63.54 112.922 -175.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -82.4 19.06 1.3 Allowed 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.2 0.524 . . . . 63.54 111.894 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -94.36 151.45 39.42 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 122.877 0.471 . . . . 75.31 111.227 172.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.25 -25.63 18.53 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.103 1.869 . . . . 71.5 111.151 168.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.85 -2.35 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.207 -0.906 . . . . 73.35 112.126 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.8 -45.61 40.51 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.314 0.857 . . . . 62.04 113.314 -173.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t -46.9 -50.12 19.25 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.77 0.655 . . . . 74.54 112.77 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -67.8 -30.42 69.84 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.211 0.529 . . . . 73.21 111.286 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -84.94 -7.12 59.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.009 -0.542 . . . . 72.21 111.771 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 75.4 mt -111.81 -60.34 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 112.064 0.394 . . . . 74.12 112.064 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.11 -113.36 5.7 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 114.304 0.481 . . . . 53.0 114.304 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 72.5 Cg_endo -75.38 -27.11 9.69 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.026 2.484 . . . . 63.14 114.52 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.43 176.19 21.65 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 120.43 -0.89 . . . . 44.31 113.889 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.809 HG22 HH12 ' A' ' 82' ' ' ARG . 29.4 t -90.99 117.78 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.246 0.462 . . . . 71.42 112.246 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 14.2 ttt180 -90.2 -60.8 1.83 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.814 0.34 . . . . 74.33 110.206 170.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.457 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.1 p-10 -171.54 -176.32 1.79 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.004 -0.544 . . . . 62.1 110.817 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.5 m-85 -125.56 154.62 41.91 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.436 -0.347 . . . . 72.43 110.307 173.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -128.97 147.36 50.85 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.872 0.368 . . . . 74.11 111.437 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 31' ' ' TYR . 95.7 t -103.19 119.62 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.879 0.371 . . . . 54.03 111.561 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 79.0 mtp180 -134.7 178.3 7.11 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.804 0.335 . . . . 74.51 111.019 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 m -76.66 159.2 30.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.971 0.415 . . . . 72.13 111.837 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 77' ' ' CYS . . . -127.84 -75.68 0.57 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.769 0.319 . . . . 73.43 111.108 177.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.14 -162.01 0.56 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 110.146 -0.316 . . . . 73.01 110.146 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -56.14 -48.89 75.37 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.203 0.525 . . . . 51.32 111.255 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.72 42.3 1.35 Allowed Glycine 0 CA--C 1.529 0.916 0 C-N-CA 121.303 -0.475 . . . . 42.1 113.305 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.5 p -126.17 170.97 11.27 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.044 0.45 . . . . 74.25 111.208 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -117.69 171.71 7.85 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.248 -0.433 . . . . 75.23 111.735 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 29.9 p -155.07 158.58 39.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.826 0.346 . . . . 65.22 111.279 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -94.83 131.15 41.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.121 0.486 . . . . 53.21 111.395 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.543 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 29.8 m95 -107.92 138.98 43.23 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.002 -0.545 . . . . 75.25 111.694 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.2 mt -94.82 112.24 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 115.789 -0.641 . . . . 72.23 112.044 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.05 117.2 33.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.924 0.393 . . . . 72.42 110.936 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.809 HH12 HG22 ' A' ' 63' ' ' VAL . 34.8 mmt180 -104.62 149.25 25.7 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.097 0.475 . . . . 72.22 112.125 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -55.84 -28.3 55.71 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.785 -0.643 . . . . 65.24 112.085 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.55 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 23.4 t70 -55.46 -33.53 63.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.326 -0.397 . . . . 43.44 111.845 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.9 -26.82 7.76 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.34 -0.457 . . . . 53.24 112.518 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 p -73.77 155.92 38.37 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.917 0.389 . . . . 73.31 111.488 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.48 41.99 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.254 0.549 . . . . 61.04 112.265 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -135.28 -171.77 2.9 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.994 -0.548 . . . . 72.43 110.722 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 79' ' ' TRP . 15.8 ptt180 -140.81 171.97 13.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.128 -0.323 . . . . 73.23 110.128 172.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.25 128.84 10.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.238 0.542 . . . . 73.44 111.833 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 m -85.41 95.42 9.25 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.044 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -53.14 -29.12 29.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.724 0.638 . . . . 64.32 112.724 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -68.02 -22.56 64.97 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.693 0.627 . . . . 73.35 112.693 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.05 -7.43 57.02 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 111.909 0.337 . . . . 73.33 111.909 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.1 t -103.51 82.04 1.99 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.175 0.512 . . . . 55.11 110.596 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.437 HG22 ' HE2' ' A' ' 17' ' ' LYS . 61.1 t -113.7 -67.42 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.16 -0.473 . . . . 60.41 111.391 -178.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 43.5 mt -158.37 -176.96 6.2 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.12 0.486 . . . . 75.42 111.317 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.05 143.72 49.76 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 109.288 -0.634 . . . . 72.25 109.288 174.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 53.07 56.37 7.62 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.458 0.647 . . . . 72.11 111.193 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -149.94 123.41 9.07 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.981 -0.554 . . . . 74.34 111.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -153.13 104.52 2.81 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.205 0.526 . . . . 71.12 111.37 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -100.27 138.18 37.68 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.897 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -113.32 107.59 16.09 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.223 0.535 . . . . 73.54 111.553 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.574 -0.727 . . . . 72.34 111.02 176.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 74.02 111.125 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.87 85.85 5.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.888 0.375 . . . . 74.14 111.308 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -167.11 149.55 6.16 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.388 -0.369 . . . . 74.52 111.684 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.87 118.74 23.16 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.436 -0.347 . . . . 63.01 110.399 172.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 20.3 pt20 -57.64 134.41 82.52 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.234 0.457 . . . . 53.41 112.234 -174.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 5' ' ' GLN . 17.3 Cg_exo -68.93 147.17 67.59 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.537 2.158 . . . . 70.21 111.89 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.499 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -84.73 106.61 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 64.21 111.064 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 121.53 44.31 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.891 0.376 . . . . 61.45 110.46 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -131.98 118.22 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 116.432 -0.349 . . . . 72.14 111.564 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.9 24.67 14.72 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.615 0.598 . . . . 74.33 112.615 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.24 -6.66 61.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 74.25 112.887 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -95.19 108.79 20.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.538 -0.389 . . . . 74.22 110.544 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -83.58 129.32 34.96 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.194 0.521 . . . . 73.22 111.567 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 70.3 m-85 -122.65 136.01 54.76 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.367 -0.379 . . . . 72.24 111.43 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.34 82.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.12 0.415 . . . . 74.45 112.12 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.59 173.71 11.37 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.159 0.504 . . . . 75.24 111.575 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HE2' HG22 ' A' ' 96' ' ' VAL . 34.3 tptt -58.23 -39.24 78.57 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.036 -0.529 . . . . 71.43 111.769 -178.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -31.89 30.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.69 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.586 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 41.2 m-20 -65.66 -53.22 44.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.426 -0.352 . . . . 72.13 111.487 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.61 -42.97 89.41 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.011 0.434 . . . . 75.14 111.37 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.091 -0.504 . . . . 71.34 111.07 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.74 -46.66 88.65 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.795 0.331 . . . . 72.25 111.42 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.16 -57.34 13.27 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.489 -0.323 . . . . 71.11 110.709 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.701 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 73.7 mtm -55.61 -34.41 64.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.249 0.462 . . . . 73.32 112.249 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.81 -52.55 56.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.91 0.386 . . . . 74.11 111.231 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.0 t -61.46 -53.52 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.279 -0.419 . . . . 64.12 111.6 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.701 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.3 ptm -56.3 -38.42 71.22 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.8 0.333 . . . . 64.43 110.977 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.85 -47.48 83.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.948 0.404 . . . . 73.11 111.285 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 2.7 m-20 -75.67 -13.11 60.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.94 0.4 . . . . 73.23 111.334 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.06 -34.23 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.994 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -84.49 155.01 22.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.01 0.433 . . . . 75.05 110.544 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -87.8 161.35 44.77 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.648 -0.251 . . . . 74.32 110.331 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 59.1 Cg_endo -71.19 52.14 1.44 Allowed 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 122.674 2.249 . . . . 74.33 113.411 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.76 21.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.055 -0.52 . . . . 53.34 112.941 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -110.31 160.78 16.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.285 0.564 . . . . 72.53 112.403 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 67' ' ' GLU . 47.2 mm -91.61 137.57 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.63 -0.714 . . . . 64.02 110.313 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.33 140.19 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 120.939 0.4 . . . . 51.44 111.415 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -63.3 161.16 14.4 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.45 111.792 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.1 m -60.54 -48.76 80.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.892 0.33 . . . . 71.51 111.892 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.31 -51.48 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.139 0.495 . . . . 63.01 111.314 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -40.23 72.29 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.861 -0.609 . . . . 73.33 110.828 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.62 -42.49 99.69 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.017 -0.538 . . . . 65.12 112.601 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.67 -36.46 67.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.068 0.461 . . . . 41.22 111.33 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.44 -45.89 82.05 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.991 -0.55 . . . . 75.21 110.543 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.64 -38.09 88.9 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.18 -0.464 . . . . 60.52 112.057 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG22 HG11 ' A' ' 63' ' ' VAL . 91.0 t -59.26 -48.41 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.178 0.513 . . . . 61.25 110.668 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -61.84 -47.55 84.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.89 -0.596 . . . . 75.21 111.256 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.377 -0.374 . . . . 63.51 111.072 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.72 -44.11 94.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.249 -0.432 . . . . 62.35 111.236 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.79 -33.67 61.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.115 0.483 . . . . 65.0 111.4 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.73 34.91 0.4 Allowed 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 112.35 0.5 . . . . 75.22 112.35 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -122.59 145.49 45.09 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 122.627 0.371 . . . . 74.35 111.197 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -15.92 35.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.457 2.105 . . . . 70.24 112.165 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -100.88 13.88 33.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.013 -0.539 . . . . 50.41 111.234 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.85 -59.89 2.78 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.583 0.586 . . . . 65.45 112.583 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -48.81 -39.58 25.94 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.455 0.539 . . . . 64.42 112.455 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -71.91 -39.05 69.79 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.917 0.389 . . . . 62.43 111.881 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -87.0 -12.46 47.37 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.038 0.384 . . . . 74.3 112.038 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -93.69 -57.48 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 122.069 -0.394 . . . . 70.34 111.326 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.66 -125.5 37.11 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 121.398 -0.43 . . . . 53.34 113.079 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.79 -21.15 25.33 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.724 2.283 . . . . 65.0 113.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.13 169.85 16.76 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.758 -0.734 . . . . 74.43 113.71 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.488 HG22 HH22 ' A' ' 82' ' ' ARG . 61.2 t -91.09 124.77 43.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 111.867 0.321 . . . . 73.4 111.867 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 72.9 ttt180 -93.67 -65.88 0.96 Allowed 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.604 -0.271 . . . . 73.23 110.868 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 2.4 p-10 -158.08 -175.84 5.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.767 0.318 . . . . 53.31 111.604 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -138.25 129.59 27.52 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.523 -0.308 . . . . 74.52 111.411 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD13 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -99.59 145.34 27.65 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.914 0.387 . . . . 72.54 111.269 172.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.81 116.78 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.549 -0.296 . . . . 60.13 111.145 175.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' PRO . 53.5 mtt180 -136.3 -178.49 5.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.674 0.273 . . . . 73.43 110.941 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 60.2 p -82.22 163.56 21.8 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.083 0.468 . . . . 65.24 111.391 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -121.78 -63.7 1.28 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.097 -0.501 . . . . 64.32 110.784 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -113.15 -157.59 0.63 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.029 -0.532 . . . . 64.04 110.641 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -57.7 -50.86 71.79 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.068 0.396 . . . . 74.34 112.068 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -128.44 35.42 2.69 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.959 -0.639 . . . . 40.4 113.301 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 p -127.67 158.24 38.1 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.051 0.453 . . . . 53.34 111.596 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.2 mt-30 -119.4 176.8 5.17 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.126 -0.488 . . . . 55.52 110.762 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 41.9 t -160.54 146.08 14.83 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.007 0.432 . . . . 74.34 111.875 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.08 137.53 34.06 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.15 -0.477 . . . . 64.3 110.751 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -104.84 122.12 45.1 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.349 0.595 . . . . 74.02 111.726 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 ' NE ' ' A' ' 82' ' ' ARG . 51.9 mt -80.64 92.83 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.627 -0.715 . . . . 64.02 111.882 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.497 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.2 mm? -81.53 117.64 22.09 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.165 0.507 . . . . 71.53 111.009 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.488 HH22 HG22 ' A' ' 63' ' ' VAL . 5.0 mmp_? -86.22 158.23 19.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.064 -0.516 . . . . 74.41 111.237 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -64.83 -15.78 62.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.808 0.337 . . . . 73.01 111.11 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -63.71 -33.83 76.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.444 0.64 . . . . 73.12 110.709 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.8 -24.81 10.66 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 115.608 -0.724 . . . . 65.2 111.897 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 m -66.97 157.07 34.27 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.889 0.375 . . . . 53.43 111.618 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.497 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -119.5 -178.36 3.59 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.509 0.559 . . . . 74.22 112.509 179.163 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.56 166.39 8.24 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.26 -0.645 . . . . 75.4 109.26 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.446 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 3.1 ptm180 -138.52 134.86 34.47 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.725 -0.609 . . . . 63.54 111.497 176.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -124.37 113.74 18.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.192 0.52 . . . . 74.25 111.846 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.77 81.78 0.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.069 0.461 . . . . 72.35 110.601 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -52.86 -25.86 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.64 0.978 . . . . 64.41 113.64 -174.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -60.98 -28.2 68.83 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.665 0.269 . . . . 65.22 111.595 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -104.18 75.72 1.28 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.422 0.63 . . . . 73.33 110.82 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.2 t -166.53 47.0 0.07 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.415 -0.811 . . . . 25.12 110.378 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.527 HG22 ' HE2' ' A' ' 17' ' ' LYS . 39.8 t -120.13 -72.06 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.44 0.638 . . . . 34.11 111.411 -176.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -155.16 108.27 2.79 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.674 -0.862 . . . . 72.21 108.674 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -162.54 102.23 1.06 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.153 0.502 . . . . 71.41 111.902 -169.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -61.89 140.34 58.3 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.881 -0.599 . . . . 54.3 111.904 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -47.48 106.82 0.1 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.786 -0.643 . . . . 75.52 112.487 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -167.11 142.21 4.05 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 109.495 -0.557 . . . . 62.41 109.495 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -57.84 143.34 42.76 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.736 0.643 . . . . 54.4 112.736 -172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -59.13 145.71 41.43 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.713 -0.676 . . . . 73.2 111.914 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.7 m170 . . . . . 0 C--O 1.253 1.268 0 CA-C-O 118.624 -0.703 . . . . 64.35 111.199 172.904 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.745 0.307 . . . . 52.33 111.563 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.39 167.35 12.42 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.117 0.414 . . . . 53.13 112.117 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 3.4 mppt? -87.59 -3.16 58.99 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.297 -0.41 . . . . 73.44 111.565 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.37 97.89 11.06 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.246 0.462 . . . . 61.32 112.246 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.78 143.7 28.43 Favored Pre-proline 0 N--CA 1.469 0.508 0 CA-C-N 116.464 -0.334 . . . . 60.42 110.787 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.94 144.3 56.98 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.793 2.329 . . . . 74.42 113.627 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.494 HG23 ' NH1' ' A' ' 51' ' ' ARG . 2.3 mp -68.8 94.09 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.031 0.443 . . . . 64.5 110.273 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 113.87 24.54 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.325 -0.398 . . . . 72.24 110.941 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -131.6 117.07 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.367 -0.378 . . . . 65.31 111.109 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.8 27.13 15.62 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.456 0.539 . . . . 73.25 112.456 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.2 63.29 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.468 -0.396 . . . . 74.44 113.142 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -99.33 109.53 22.13 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 122.516 -0.402 . . . . 75.55 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -91.98 109.17 20.51 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.077 0.465 . . . . 72.31 111.582 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -100.5 104.02 15.38 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.411 -0.359 . . . . 74.42 111.269 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.17 68.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.213 0.53 . . . . 65.12 111.396 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 9.1 tpp180 -110.49 130.3 55.59 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.264 -0.425 . . . . 41.03 111.06 177.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.701 ' HE2' HG22 ' A' ' 96' ' ' VAL . 52.9 tptt -55.65 -41.55 73.75 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.96 0.41 . . . . 64.01 111.19 175.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.11 70.26 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.737 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 28.5 t0 -66.43 -42.11 88.19 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.296 0.569 . . . . 74.41 110.14 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 24' ' ' MET . . . -59.84 -48.7 80.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.941 -0.572 . . . . 73.12 111.075 173.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 17' ' ' LYS . 80.3 mt -60.26 -37.11 79.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.961 -0.563 . . . . 74.01 111.219 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.96 -61.68 2.45 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.049 -0.523 . . . . 60.1 110.993 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.3 -46.47 62.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.937 0.399 . . . . 74.41 111.626 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 66.6 mtt -57.4 -42.38 82.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.141 -0.481 . . . . 71.22 111.528 178.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 28' ' ' LEU . 52.0 tttp -82.5 -22.07 35.23 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.634 0.605 . . . . 72.23 112.634 -177.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.5 t -59.9 -47.29 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.898 -0.501 . . . . 71.4 110.699 175.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.41 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 25.5 ptt? -73.7 -36.21 65.24 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.379 -0.373 . . . . 70.24 111.102 175.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HB3' ' HA ' ' A' ' 25' ' ' LYS . 57.1 tp -56.79 -44.91 82.38 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.073 0.463 . . . . 75.32 111.548 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.3 -14.08 60.85 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.071 -0.513 . . . . 73.24 111.773 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -79.54 -33.85 41.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.938 0.399 . . . . 64.13 110.631 175.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -84.55 175.86 9.0 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.161 0.505 . . . . 64.02 111.266 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -119.99 155.34 55.47 Favored Pre-proline 0 N--CA 1.469 0.482 0 CA-C-N 116.295 -0.411 . . . . 75.31 111.099 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.23 75.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.76 2.307 . . . . 71.14 112.578 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.11 -10.66 0.76 Allowed Glycine 0 CA--C 1.528 0.874 0 CA-C-N 114.823 -1.081 . . . . 70.15 112.913 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.84 152.27 20.83 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.336 0.589 . . . . 74.32 112.192 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.28 144.51 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.829 -0.623 . . . . 73.21 111.586 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.69 145.35 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 116.479 -0.328 . . . . 74.4 111.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -64.92 162.13 17.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.041 0.448 . . . . 51.12 111.611 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.9 -42.07 99.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.885 0.374 . . . . 64.32 111.308 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.23 -54.3 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.031 0.443 . . . . 74.43 111.824 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 49.0 m-20 -71.8 -29.2 64.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.081 0.467 . . . . 73.04 111.031 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.69 -43.23 99.53 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.254 -0.498 . . . . 75.44 112.767 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.78 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.986 0.422 . . . . 64.31 111.514 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.4 -46.39 88.83 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.111 -0.495 . . . . 70.53 110.691 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.73 -39.47 94.18 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.961 -0.563 . . . . 65.12 111.532 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' A' ' 50' ' ' LYS . 61.4 t -58.41 -50.6 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 120.735 0.303 . . . . 70.11 110.919 177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -56.85 -48.16 78.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.115 0.483 . . . . 73.42 111.278 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -33.01 67.56 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.142 -0.481 . . . . 63.33 111.409 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 80' ' ' ILE . 56.6 tp -74.2 -44.47 53.19 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.293 -0.412 . . . . 72.13 111.588 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HE2' HG12 ' A' ' 46' ' ' VAL . 68.8 mttm -50.52 -49.31 56.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 64.13 112.224 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' NH1' HG23 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -80.2 37.8 0.39 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -173.749 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -134.4 150.48 74.01 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.634 0.374 . . . . 72.22 111.313 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.03 -19.32 68.78 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.477 2.118 . . . . 72.24 112.756 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.34 -5.65 56.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.26 -0.427 . . . . 70.55 111.959 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.54 -68.46 0.19 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.402 0.89 . . . . 73.2 113.402 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -51.31 -32.43 25.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.806 0.669 . . . . 41.32 112.806 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -77.23 -46.32 23.58 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.098 0.475 . . . . 55.12 111.59 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.686 ' HG2' ' HG2' ' A' ' 88' ' ' GLU . 56.1 mttp -87.1 -2.62 58.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.562 0.578 . . . . 72.13 112.562 -175.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -107.2 -52.98 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.995 0.426 . . . . 64.5 110.911 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.57 12.99 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.975 -0.631 . . . . 53.43 112.052 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -78.67 -40.93 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.443 2.095 . . . . 74.54 112.718 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.34 176.86 48.24 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.981 -0.628 . . . . 72.2 113.5 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.24 130.24 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.827 0.346 . . . . 62.41 111.375 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.76 -54.93 4.55 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 120.806 0.336 . . . . 73.31 110.141 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -168.22 -177.41 3.26 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.286 -0.416 . . . . 72.05 111.162 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -119.85 145.42 46.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.743 0.306 . . . . 72.33 111.277 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -126.86 134.75 50.44 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.882 0.372 . . . . 73.34 111.534 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.9 t -91.09 106.27 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.701 0.286 . . . . 74.34 111.232 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -119.77 154.2 34.56 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.232 -0.292 . . . . 72.31 110.756 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.8 p -73.13 134.58 44.51 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.816 0.341 . . . . 73.2 111.108 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.97 -66.22 0.92 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.983 0.42 . . . . 51.14 111.461 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -110.57 -169.25 1.43 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.261 -0.427 . . . . 74.04 111.584 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -49.43 -31.22 9.3 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.849 0.685 . . . . 71.2 112.849 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.43 51.28 0.47 Allowed Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.881 -0.676 . . . . 62.44 113.111 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -140.39 147.41 39.72 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 122.331 -0.511 . . . . 73.11 111.635 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.521 ' HB2' HD21 ' A' ' 28' ' ' LEU . 43.8 mt-30 -107.68 149.37 28.2 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.155 -0.475 . . . . 62.53 110.658 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -141.8 139.83 32.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.956 0.408 . . . . 73.34 111.697 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -82.87 115.96 21.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.207 -0.451 . . . . 72.42 111.261 176.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -95.97 129.11 43.33 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.343 0.592 . . . . 74.32 111.53 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 49' ' ' LEU . 33.5 mt -90.58 109.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.599 -0.728 . . . . 64.31 111.353 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -82.18 92.63 6.92 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.167 0.508 . . . . 71.52 110.092 175.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' NH2' ' HB2' ' A' ' 88' ' ' GLU . 81.9 mtm180 -73.98 143.61 45.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.02 -0.536 . . . . 71.4 112.041 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.7 p -63.68 -13.76 45.83 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.237 0.542 . . . . 62.31 111.128 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.82 -27.54 51.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.565 -0.743 . . . . 62.5 111.562 172.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.84 22.76 11.63 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.311 -0.471 . . . . 74.25 112.138 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 m -151.18 136.45 17.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.626 0.371 . . . . 71.21 111.023 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -87.2 174.22 8.74 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 120.768 0.318 . . . . 73.35 111.802 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.686 ' HG2' ' HG2' ' A' ' 58' ' ' LYS . 8.6 tp10 -169.65 144.27 2.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.193 -0.458 . . . . 52.11 110.737 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -106.37 152.42 23.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.177 0.513 . . . . 75.32 111.968 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -137.34 123.83 20.84 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 73.35 110.785 174.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.1 m -80.38 86.19 5.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.109 0.481 . . . . 51.34 111.352 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -51.47 -36.02 42.47 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.793 0.664 . . . . 70.43 112.793 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -72.39 -25.17 61.4 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.725 0.639 . . . . 73.52 112.725 -177.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -87.91 -1.44 57.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.771 0.319 . . . . 72.11 111.463 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.43 79.41 2.12 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.02 0.438 . . . . 61.52 110.376 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.701 HG22 ' HE2' ' A' ' 17' ' ' LYS . 47.8 t -116.81 -69.86 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.052 -0.522 . . . . 64.14 111.213 -178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 98' ' ' GLU . 4.3 tt -176.89 148.26 0.64 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.945 -0.57 . . . . 74.53 109.871 -175.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.65 ' N ' HD23 ' A' ' 97' ' ' LEU . 47.3 mt-10 -58.77 137.21 57.8 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.015 0.436 . . . . 72.01 111.835 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -100.22 98.26 8.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.453 0.644 . . . . 71.12 109.484 169.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -65.4 85.48 0.06 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.234 -0.893 . . . . 71.42 112.364 -169.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -84.5 -40.66 17.39 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.134 -0.484 . . . . 74.41 111.436 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -110.69 138.3 47.25 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.824 0.345 . . . . 74.15 111.473 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -72.03 171.65 11.5 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.45 -0.341 . . . . 72.11 111.228 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 118.37 -0.824 . . . . 71.35 110.932 173.519 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mmm . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 120.949 0.404 . . . . 54.31 110.803 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.14 93.54 0.09 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.732 0.642 . . . . 64.21 112.732 -173.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -134.52 -174.34 3.54 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.095 -0.502 . . . . 74.1 110.68 173.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.37 84.96 0.58 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.047 0.451 . . . . 73.3 111.255 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -106.75 141.98 24.01 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 116.466 -0.334 . . . . 71.13 111.605 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -65.62 160.59 42.54 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.756 2.304 . . . . 55.23 113.363 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -78.03 96.56 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.42 -0.354 . . . . 62.14 110.54 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 32.3 tt0 -83.21 120.09 25.37 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.037 0.446 . . . . 73.24 111.362 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.8 mt -129.35 109.73 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.066 -0.516 . . . . 71.33 110.273 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.87 34.44 24.35 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.279 0.562 . . . . 75.11 111.197 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.3 -26.63 16.5 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 116.016 -0.538 . . . . 32.44 112.97 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -74.81 98.15 3.44 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 74.52 111.119 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 8.0 pt-20 -95.74 103.29 15.16 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.262 0.553 . . . . 51.32 112.099 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -90.77 126.51 36.03 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.316 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.45 -17.89 64.29 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.01 0.433 . . . . 64.21 112.092 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.2 ptt85 -144.79 142.47 30.01 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.087 -0.506 . . . . 71.33 111.256 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.523 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -61.46 -39.32 90.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.982 -177.239 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.58 68.37 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.131 0.419 . . . . 71.43 112.131 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 12.2 t70 -67.79 -40.71 83.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.19 0.519 . . . . 63.0 110.491 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.17 90.11 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.04 -0.527 . . . . 73.31 111.062 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.63 -48.04 82.67 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.908 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.82 -50.89 71.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.222 -0.444 . . . . 63.42 111.328 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -52.46 -55.36 22.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.923 0.392 . . . . 75.11 111.665 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.12 -31.0 71.98 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.081 0.4 . . . . 73.4 112.081 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HD2' HD23 ' A' ' 28' ' ' LEU . 26.9 tptp -70.99 -39.48 72.41 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.218 -0.301 . . . . 74.05 111.453 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' ALA . 70.8 t -50.1 -60.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.611 0.243 . . . . 73.32 111.604 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.603 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 24.8 ptt? -60.7 -37.61 82.26 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.752 0.31 . . . . 75.13 110.878 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' HD2' ' A' ' 25' ' ' LYS . 28.1 tp -57.99 -32.26 67.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.356 -0.383 . . . . 74.11 111.591 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 25' ' ' LYS . 67.6 m-80 -66.87 -35.06 79.16 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 122.174 -0.328 . . . . 50.43 111.353 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -79.36 -29.9 42.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.914 0.388 . . . . 75.43 111.933 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -86.08 111.41 20.3 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.875 0.369 . . . . 73.31 110.658 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -75.14 163.98 64.37 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 122.347 -0.22 . . . . 70.3 111.005 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.33 76.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.301 2.001 . . . . 74.34 111.448 171.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.39 -11.78 0.26 Allowed Glycine 0 CA--C 1.528 0.897 0 CA-C-N 114.324 -1.307 . . . . 63.42 112.832 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.43 147.83 27.62 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.348 0.594 . . . . 73.31 112.439 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -92.61 136.91 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.615 -0.721 . . . . 61.3 110.318 171.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.22 142.23 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.44 -0.346 . . . . 75.41 111.127 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.9 p -63.77 171.05 2.93 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.295 0.569 . . . . 72.24 112.136 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.4 m -68.93 -37.33 78.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.055 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.6 t -65.22 -59.57 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.906 0.384 . . . . 65.55 111.175 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 48.2 m-20 -63.28 -36.85 85.03 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.203 0.525 . . . . 73.45 110.819 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -60.81 -41.5 99.18 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 116.069 -0.514 . . . . 63.1 112.907 176.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.86 80.19 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.137 0.494 . . . . 71.34 111.129 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.1 -49.13 78.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.877 -0.601 . . . . 72.25 110.709 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.26 -39.97 80.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.126 -0.488 . . . . 53.21 111.998 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 42' ' ' GLY . 95.4 t -57.16 -52.21 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 120.728 0.299 . . . . 73.11 111.141 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.97 -37.53 87.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 111.923 0.342 . . . . 64.32 111.923 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.72 -34.59 76.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.234 0.54 . . . . 72.1 111.066 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.619 HD22 HD13 ' A' ' 80' ' ' ILE . 56.4 tp -74.18 -51.34 15.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.343 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -50.43 -31.8 16.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.367 0.877 . . . . 62.43 113.367 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -84.55 24.64 0.98 Allowed 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.992 -0.442 . . . . 72.32 112.096 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -107.21 149.46 38.71 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 122.826 0.45 . . . . 74.31 111.066 172.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.77 -25.6 28.38 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.256 1.971 . . . . 64.52 111.977 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.13 -1.49 57.93 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.0 -0.546 . . . . 75.0 111.894 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -50.02 -55.29 15.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.544 0.572 . . . . 75.21 112.544 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -47.7 -47.58 29.82 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.546 0.572 . . . . 65.34 112.546 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.0 m -70.56 -34.23 71.99 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.09 0.472 . . . . 72.34 111.301 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 12.4 tppt? -75.46 -28.95 59.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.93 -0.577 . . . . 72.13 111.293 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.455 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 79.5 mt -81.91 -41.33 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.487 -0.324 . . . . 74.43 111.409 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.39 19.69 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 114.065 0.386 . . . . 63.25 114.065 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.527 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 94.7 Cg_endo -75.05 -20.74 16.46 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.734 2.289 . . . . 64.45 114.056 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.58 161.77 10.17 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.727 -0.749 . . . . 33.44 113.502 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.574 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 53.1 t -84.64 112.77 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 120.939 0.399 . . . . 75.35 111.864 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -91.86 -61.0 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.7 0.286 . . . . 54.34 110.933 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -170.01 -175.3 1.99 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.006 0.432 . . . . 72.3 111.402 175.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.42 134.18 51.06 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.005 -0.543 . . . . 65.24 110.339 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -128.65 137.1 51.47 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.854 0.359 . . . . 61.45 111.138 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.42 136.48 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.589 0.588 . . . . 73.22 112.589 -176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.506 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 36.0 ttt180 -146.21 152.7 39.64 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.742 -0.663 . . . . 73.22 109.612 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.3 p -79.11 136.42 37.14 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.991 -0.443 . . . . 71.44 111.435 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.02 -72.13 0.72 Allowed 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 111.987 0.366 . . . . 70.32 111.987 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -106.38 102.41 11.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.619 0.247 . . . . 75.34 111.603 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 60.03 -81.9 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.02 0.528 . . . . 73.4 112.389 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.18 -9.94 6.43 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.475 -0.393 . . . . 32.23 113.162 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.1 p -73.29 127.26 32.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.391 0.615 . . . . 75.34 111.473 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.77 167.52 20.5 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.71 -0.677 . . . . 70.3 111.728 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' A' ' 89' ' ' ARG . 46.3 t -158.75 148.15 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.845 0.355 . . . . 73.32 111.37 175.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -83.38 118.31 23.62 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.391 -0.368 . . . . 73.43 111.365 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 15.7 m95 -93.88 134.66 36.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.249 0.547 . . . . 72.14 111.243 175.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.619 HD13 HD22 ' A' ' 49' ' ' LEU . 65.7 mt -92.47 109.66 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.783 -0.644 . . . . 74.33 112.23 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.12 127.21 34.15 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.336 0.589 . . . . 74.34 111.514 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.574 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 5.2 mmp_? -100.09 154.34 18.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.858 -0.61 . . . . 71.42 111.159 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p -54.55 -43.41 71.98 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.257 0.465 . . . . 45.12 112.257 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 0.7 OUTLIER -70.9 10.83 0.47 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.247 0.832 . . . . 75.04 113.247 178.331 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.1 51.45 10.2 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.987 -0.625 . . . . 42.52 113.3 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 t -128.32 138.11 52.24 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.225 -0.287 . . . . 72.12 110.225 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -127.92 121.33 29.67 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.54 0.686 . . . . 72.23 112.341 -177.015 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -145.09 141.15 28.56 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.11 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.571 ' HD2' ' SG ' ' A' ' 77' ' ' CYS . 50.4 ptt85 -97.38 -178.83 4.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.525 0.678 . . . . 75.32 112.106 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -138.75 121.36 16.27 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.417 -0.81 . . . . 74.34 110.191 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.0 m -68.56 75.25 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.353 0.597 . . . . 71.13 111.428 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -56.66 -24.5 49.02 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.69 -0.686 . . . . 75.02 112.392 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -78.47 -13.15 59.97 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.447 0.536 . . . . 72.42 112.447 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -104.26 -2.81 25.11 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.144 0.424 . . . . 74.34 112.144 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.62 74.58 3.21 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.799 0.333 . . . . 71.42 110.259 176.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.523 HG22 ' HG3' ' A' ' 17' ' ' LYS . 33.6 t -141.92 -87.77 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 120.993 0.425 . . . . 72.21 111.928 -174.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 98' ' ' GLU . 3.0 tm? 162.79 157.57 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.081 -1.452 . . . . 74.34 107.081 -169.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.678 ' N ' HD13 ' A' ' 97' ' ' LEU . 41.8 mt-10 -48.29 98.2 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.044 0.757 . . . . 71.23 113.044 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -124.75 25.51 7.43 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.592 -0.731 . . . . 63.35 110.307 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -74.97 74.16 2.18 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.578 0.704 . . . . 74.34 111.828 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -114.59 27.42 9.46 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.376 -0.829 . . . . 61.25 109.935 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -78.84 101.45 7.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.558 0.694 . . . . 73.13 112.344 -172.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -96.35 -177.45 3.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.513 -0.767 . . . . 62.54 109.867 171.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 61.3 m170 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 119.032 -0.509 . . . . 71.32 110.893 173.43 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ppp? . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.156 0.503 . . . . 75.21 111.66 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.75 126.39 34.96 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.154 0.502 . . . . 60.52 112.229 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -158.48 109.45 2.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.164 -0.471 . . . . 73.34 111.045 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.31 112.16 7.53 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.872 0.368 . . . . 65.32 111.238 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.12 154.53 47.17 Favored Pre-proline 0 N--CA 1.471 0.576 0 CA-C-N 116.624 -0.262 . . . . 71.32 110.502 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.06 131.83 45.8 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 121.97 1.78 . . . . 72.25 111.696 175.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 3.0 mp -67.27 90.72 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.06 0.457 . . . . 64.32 110.49 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.7 tm-20 -102.37 110.11 21.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.555 . . . . 74.1 111.096 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.0 mt -125.22 121.61 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.767 -0.652 . . . . 71.11 111.004 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.9 26.68 15.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.339 0.496 . . . . 72.14 112.339 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.87 -0.22 69.49 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.294 -0.479 . . . . 51.13 113.28 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -103.52 103.43 13.39 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.623 -0.339 . . . . 75.21 110.501 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 11.3 pt-20 -89.33 141.12 28.82 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.248 0.547 . . . . 75.42 111.653 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 90.2 m-85 -126.27 123.15 37.47 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.017 -0.538 . . . . 73.21 111.112 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -23.19 66.85 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.263 0.468 . . . . 73.14 112.263 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -147.35 143.09 27.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.528 -0.306 . . . . 71.22 110.601 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HG3' HG13 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -58.35 -39.58 79.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.911 0.386 . . . . 73.2 111.342 -177.704 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.98 -23.49 61.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.162 0.43 . . . . 74.21 112.162 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.2 -35.89 48.02 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.066 0.46 . . . . 61.04 110.838 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 93.02 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.121 -0.49 . . . . 43.32 111.289 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 93' ' ' LYS . 70.7 mt -56.42 -42.6 78.32 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.26 -0.427 . . . . 75.21 111.131 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.66 -49.87 75.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.991 -0.549 . . . . 61.24 111.279 177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.35 -48.47 74.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.931 0.396 . . . . 51.23 111.398 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.0 mtt -58.0 -40.73 81.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.304 -0.407 . . . . 45.11 111.218 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -64.2 -45.94 86.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.839 0.352 . . . . 70.04 110.465 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.1 t -55.67 -52.96 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 111.906 0.336 . . . . 71.12 111.906 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.09 -28.06 67.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.087 -0.383 . . . . 74.3 111.22 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' A' ' 76' ' ' GLN . 47.8 tp -69.85 -18.42 63.43 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.098 0.475 . . . . 73.34 111.037 174.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -94.24 -29.8 14.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.037 0.446 . . . . 65.25 110.853 172.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -60.8 -38.87 86.85 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.312 0.577 . . . . 74.23 110.399 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.96 115.09 28.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 73.4 110.471 172.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' HB2' ' OD1' ' A' ' 35' ' ' ASP . 48.8 mtm180 -63.52 160.67 41.16 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.305 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HA ' HG12 ' A' ' 68' ' ' VAL . 37.5 Cg_endo -65.12 25.29 0.08 OUTLIER 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 122.778 2.319 . . . . 73.34 114.164 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -152.37 24.89 0.87 Allowed Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.689 -0.291 . . . . 63.33 112.616 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -118.05 161.77 19.28 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.353 0.597 . . . . 72.11 112.209 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -97.56 132.85 41.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.654 -0.703 . . . . 74.32 111.153 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 55.9 t -72.32 128.0 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 116.451 -0.341 . . . . 62.3 111.042 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.4 t -72.71 178.35 4.21 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.981 0.42 . . . . 64.52 112.043 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.5 m -60.08 -48.44 81.72 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.945 0.72 . . . . 64.2 112.945 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.25 -59.27 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.003 0.43 . . . . 74.52 111.954 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.48 -38.57 87.78 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.054 0.454 . . . . 73.42 111.002 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.34 -42.98 99.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.118 -0.492 . . . . 42.24 112.912 177.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.61 80.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.866 0.365 . . . . 75.13 111.287 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.26 -40.94 83.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.095 0.474 . . . . 62.22 110.494 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.85 -41.94 82.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.828 -0.624 . . . . 64.22 111.329 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.476 HG12 ' HE2' ' A' ' 50' ' ' LYS . 97.5 t -57.26 -47.7 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.928 0.394 . . . . 74.13 111.201 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.42 -43.7 89.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.108 0.48 . . . . 71.24 110.688 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.45 66.19 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.045 -0.525 . . . . 32.24 111.456 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.62 -48.15 12.11 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.277 -0.419 . . . . 63.43 111.091 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HE2' HG12 ' A' ' 46' ' ' VAL . 68.0 mttm -53.84 -28.26 34.67 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.155 0.798 . . . . 71.5 113.155 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.539 HH22 HD23 ' A' ' 97' ' ' LEU . 4.6 ptm180 -70.58 -14.33 62.45 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.092 0.405 . . . . 43.42 112.092 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.461 ' HA ' ' HG2' ' A' ' 98' ' ' GLU . 62.3 m-70 -91.5 148.33 37.23 Favored Pre-proline 0 N--CA 1.474 0.775 0 N-CA-C 111.826 0.306 . . . . 70.14 111.826 -177.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.67 -22.76 27.46 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.251 1.967 . . . . 70.44 112.554 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.85 7.64 42.96 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.246 -0.434 . . . . 65.53 111.711 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.47 -53.84 26.65 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.02 0.748 . . . . 52.21 113.02 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -51.21 -33.41 27.56 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.902 0.704 . . . . 75.54 112.902 -175.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.1 m -73.87 -36.18 64.8 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.039 0.447 . . . . 70.2 111.871 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -83.59 -18.03 39.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.808 0.337 . . . . 72.5 111.395 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -82.95 -41.61 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.08 0.467 . . . . 65.14 110.521 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.47 -134.9 41.94 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 116.041 -0.527 . . . . 75.12 112.966 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.73 2.1 8.79 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.645 2.23 . . . . 60.43 113.195 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.6 152.16 5.63 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 121.211 -0.518 . . . . 42.05 113.116 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -94.72 129.19 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.121 0.486 . . . . 73.32 111.318 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.415 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 44.3 ttm180 -91.24 -55.4 3.54 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.799 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.415 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.4 p-10 -168.01 -179.45 4.15 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.927 0.394 . . . . 75.3 111.053 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.3 m-85 -119.34 149.27 42.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.801 0.334 . . . . 74.44 110.842 176.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.68 146.48 50.86 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.868 0.366 . . . . 74.22 111.169 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 33' ' ' PRO . 98.5 t -102.45 125.54 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.001 0.429 . . . . 64.32 111.235 177.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 62.0 ttt180 -146.08 148.94 33.17 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.456 -0.338 . . . . 75.01 111.178 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 77.9 p -68.65 151.22 47.0 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.19 0.519 . . . . 72.55 112.317 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.18 -51.26 1.2 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.932 -0.576 . . . . 72.54 110.988 176.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.445 ' HB2' ' OG1' ' A' ' 75' ' ' THR . 24.0 m-20 -106.71 -164.27 0.98 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.874 175.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -51.86 -66.88 0.31 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.22 0.452 . . . . 75.42 112.22 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.14 28.06 5.69 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.939 -0.648 . . . . 53.42 113.817 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' A' ' 72' ' ' ASP . 78.3 p -129.24 128.77 43.96 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.099 0.476 . . . . 62.31 111.702 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -91.99 -176.38 4.39 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.169 0.509 . . . . 74.01 111.362 178.463 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.2 m -142.56 154.26 44.29 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.986 -0.552 . . . . 53.45 110.435 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -89.62 117.43 28.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.039 0.447 . . . . 74.23 111.363 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 31.8 m95 -94.79 128.47 41.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.884 -0.598 . . . . 63.23 111.749 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.405 HG12 ' CE2' ' A' ' 66' ' ' PHE . 56.0 mt -89.99 109.98 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.901 0.381 . . . . 72.02 111.53 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.7 mm? -83.95 96.41 8.83 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.859 0.361 . . . . 60.23 110.428 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -79.34 148.4 32.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.585 -0.28 . . . . 73.53 111.407 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -58.4 -25.77 62.49 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.002 0.43 . . . . 74.4 111.254 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.02 -39.11 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.758 -0.655 . . . . 64.32 111.536 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.11 -30.84 6.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.932 -0.576 . . . . 34.23 112.518 -175.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.6 m -78.44 107.0 10.76 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 122.653 -0.322 . . . . 72.45 111.388 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.585 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.65 138.07 36.38 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.066 0.46 . . . . 73.24 111.671 178.386 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -136.95 131.63 33.28 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.904 0.383 . . . . 73.01 110.871 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -97.89 157.25 16.2 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.179 0.437 . . . . 71.23 112.179 -175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -132.89 141.5 48.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.961 0.41 . . . . 71.51 111.021 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.71 -16.01 55.38 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.341 0.867 . . . . 70.12 113.341 -173.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 p90 57.77 -61.11 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.91 1.284 . . . . 64.1 113.944 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HA ' HD22 ' A' ' 21' ' ' LEU . 22.1 ptmt -49.27 -32.71 11.36 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.76 0.652 . . . . 72.54 112.76 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.513 ' NZ ' ' HB3' ' A' ' 94' ' ' LYS . 8.4 mtpm? -81.3 76.63 8.23 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.01 0.433 . . . . 43.32 111.15 178.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 16.5 p -166.11 133.83 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.298 0.57 . . . . 40.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.472 HG13 ' HG3' ' A' ' 17' ' ' LYS . 56.5 t -138.25 -67.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.893 0.854 . . . . 64.4 109.081 175.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.539 HD23 HH22 ' A' ' 51' ' ' ARG . 41.1 mt -150.76 140.29 21.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.878 -1.056 . . . . 65.41 110.051 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -80.17 -4.97 55.2 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.348 0.594 . . . . 64.35 111.264 178.353 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -115.45 46.29 1.51 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.661 0.743 . . . . 73.3 109.094 166.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 97' ' ' LEU . 47.0 t-80 -66.95 91.07 0.19 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.205 -0.907 . . . . 64.23 113.084 -172.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -165.04 130.48 2.65 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.002 0.43 . . . . 60.33 111.286 172.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -149.61 110.42 4.3 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.089 0.471 . . . . 65.13 111.147 178.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -90.41 136.54 32.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.146 -0.479 . . . . 42.54 111.654 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.056 -0.973 . . . . 75.41 111.534 173.552 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 112.167 0.432 . . . . 75.12 112.167 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.2 176.48 9.72 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.156 0.503 . . . . 74.01 112.224 -177.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -86.17 -14.11 45.04 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.997 0.427 . . . . 61.13 110.95 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.66 84.23 0.19 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.064 0.459 . . . . 74.03 111.84 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.07 132.42 45.63 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.137 -0.483 . . . . 65.53 111.248 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -64.58 165.02 21.7 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.445 2.097 . . . . 74.51 112.437 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.1 mp -78.07 96.29 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.892 0.377 . . . . 74.12 110.686 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -92.8 120.45 33.18 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.82 0.343 . . . . 75.42 111.47 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -132.93 115.02 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.556 -0.293 . . . . 65.13 110.993 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.44 31.38 20.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.526 0.565 . . . . 70.05 112.526 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.81 8.09 80.23 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.041 -0.6 . . . . 51.23 113.063 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -107.16 106.15 16.49 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.935 -0.394 . . . . 71.34 109.935 175.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -89.69 114.41 26.06 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.409 0.623 . . . . 54.43 111.414 -179.051 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 92.5 m-85 -96.45 131.71 42.75 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.29 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.6 57.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.02 0.748 . . . . 73.24 113.02 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HG2' ' HB2' ' A' ' 19' ' ' ASP . 23.2 ptt-85 -165.27 160.39 18.3 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.371 0.268 . . . . 72.53 110.448 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.6 tmtt? -59.15 -42.05 89.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.782 0.325 . . . . 65.45 110.852 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -24.95 67.49 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.228 -0.442 . . . . 65.31 111.77 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 38.4 t0 -71.21 -43.21 67.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.202 0.525 . . . . 63.31 109.976 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.041 -0.527 . . . . 61.21 111.042 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 78.7 mt -64.0 -39.47 94.19 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.128 -0.487 . . . . 73.45 110.993 177.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -60.17 -45.34 93.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.877 0.37 . . . . 75.52 111.299 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 27' ' ' MET . 71.9 t80 -58.38 -59.99 4.49 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.321 -0.4 . . . . 63.03 111.093 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtm -56.17 -29.18 60.48 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.114 0.413 . . . . 71.45 112.114 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -47.44 73.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.377 -0.202 . . . . 62.23 111.255 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 22' ' ' ALA . 88.9 t -56.52 -55.03 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.003 0.43 . . . . 65.42 111.384 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 13.5 ptm -60.93 -37.21 81.53 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.222 -0.445 . . . . 73.3 111.717 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD21 ' O ' ' A' ' 76' ' ' GLN . 47.7 tp -62.0 -40.19 94.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.97 0.415 . . . . 72.01 111.48 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -66.85 -31.28 71.79 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.867 0.365 . . . . 74.43 111.399 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.35 -33.62 75.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.028 -0.533 . . . . 74.41 112.128 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 79.9 m-85 -100.47 141.58 33.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.322 0.582 . . . . 75.33 112.327 -177.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -86.26 166.49 28.12 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.724 -0.671 . . . . 73.04 110.505 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 25.0 Cg_exo -62.24 72.76 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.516 2.144 . . . . 62.21 112.366 173.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.1 -15.24 0.23 Allowed Glycine 0 CA--C 1.529 0.922 0 CA-C-N 115.369 -0.832 . . . . 65.33 113.351 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 54.6 m-20 -79.12 144.11 34.85 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.49 0.662 . . . . 71.2 112.006 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -89.13 138.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.64 -0.709 . . . . 73.31 111.054 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.21 142.65 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.222 -0.445 . . . . 70.42 110.673 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -76.57 177.05 7.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.228 0.537 . . . . 53.44 112.099 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.9 m -65.7 -28.8 69.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.132 -0.486 . . . . 44.12 111.35 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -73.34 -68.5 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.383 -0.371 . . . . 64.42 111.374 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -28.71 65.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.769 0.318 . . . . 64.31 111.481 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -55.96 -47.23 81.28 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 121.151 -0.547 . . . . 54.5 112.785 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.73 98.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.992 0.425 . . . . 64.14 111.124 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -54.72 -49.1 71.58 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.854 -0.612 . . . . 43.12 111.03 175.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.5 mt -61.52 -39.12 89.86 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.128 -0.487 . . . . 72.32 111.991 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' GLY . 84.9 t -60.22 -47.14 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.719 0.295 . . . . 55.43 111.364 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.7 -45.1 91.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.874 0.369 . . . . 72.21 111.258 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.95 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.184 0.516 . . . . 70.5 111.025 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.42 -60.84 2.38 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.519 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -51.57 -32.64 29.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.112 1.153 . . . . 73.55 114.112 -172.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.28 15.45 0.33 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.886 -0.509 . . . . 71.31 112.325 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -112.9 137.95 22.02 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 122.662 0.385 . . . . 74.43 110.358 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.75 -34.51 98.31 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.656 2.237 . . . . 74.31 113.228 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.19 -5.94 59.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.413 0.523 . . . . 55.44 112.413 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -53.62 -45.28 70.06 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.76 0.652 . . . . 61.31 112.76 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -50.61 -35.67 31.42 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.651 0.611 . . . . 73.35 112.651 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -63.89 -22.04 66.73 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.973 0.416 . . . . 63.24 111.802 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 41.3 mttm -113.55 15.07 19.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.369 0.604 . . . . 64.44 111.329 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.491 ' HA ' HH11 ' A' ' 82' ' ' ARG . 74.9 mt -104.75 -50.05 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.144 -0.48 . . . . 24.1 110.007 171.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.99 -111.51 3.63 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 116.076 -0.511 . . . . 72.44 113.725 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.84 -31.87 6.13 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.491 2.127 . . . . 43.11 112.987 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.98 165.97 14.73 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.655 -0.783 . . . . 71.51 114.129 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.53 HG13 ' NH2' ' A' ' 82' ' ' ARG . 68.6 t -87.78 120.65 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 122.634 0.373 . . . . 73.23 111.307 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HG2' HD22 ' A' ' 65' ' ' ASN . 73.8 ttt180 -90.38 -46.87 8.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.01 0.433 . . . . 71.03 110.662 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 6.5 p30 -174.58 -169.7 0.45 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.958 -0.564 . . . . 71.11 110.849 175.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.25 139.98 47.24 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.511 0.324 . . . . 75.31 110.66 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -117.46 151.66 36.62 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.981 0.42 . . . . 73.43 110.996 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 31' ' ' TYR . 83.3 t -103.47 116.51 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.429 -0.35 . . . . 74.3 110.722 176.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -132.61 153.55 50.93 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 122.383 -0.198 . . . . 62.24 111.512 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.4 m -50.84 149.63 3.35 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.541 1.311 . . . . 61.53 114.541 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.68 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -130.34 162.19 29.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.345 -0.843 . . . . 74.21 111.136 174.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -73.58 -6.62 47.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.9 0.704 . . . . 74.15 112.9 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -98.18 24.31 7.29 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.084 -0.385 . . . . 74.11 111.81 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.05 -40.16 2.65 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 120.993 -0.622 . . . . 74.34 112.755 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.4 p -79.73 -172.55 3.38 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.147 0.498 . . . . 61.44 111.279 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -106.99 -173.33 2.27 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.921 0.391 . . . . 65.21 110.815 176.525 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 96.7 m -137.27 153.69 50.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.345 -0.389 . . . . 52.31 110.645 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.02 117.7 24.15 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.099 0.476 . . . . 74.21 110.598 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 29.9 m95 -95.61 137.05 35.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.886 0.85 . . . . 73.21 112.652 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.4 mt -81.82 91.02 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.594 -1.185 . . . . 70.42 111.889 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.4 mm? -81.66 117.04 21.69 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.158 0.504 . . . . 75.22 110.885 175.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.533 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -102.36 149.98 23.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.967 0.413 . . . . 71.01 111.968 -178.564 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.2 p -60.83 -19.52 59.96 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.178 0.514 . . . . 74.41 110.874 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.74 -50.55 60.37 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.602 -0.726 . . . . 75.03 111.427 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.6 -32.92 2.41 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.028 -0.533 . . . . 75.05 112.58 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.9 p -86.17 169.63 12.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.037 0.446 . . . . 75.22 111.495 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.586 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -133.73 137.94 45.52 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.281 0.562 . . . . 72.45 112.002 177.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.19 -171.74 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.379 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -141.94 139.11 32.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.076 -0.39 . . . . 73.32 111.561 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -131.7 128.76 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.335 0.588 . . . . 73.12 110.763 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.5 p -94.29 105.55 17.54 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.404 0.621 . . . . 73.1 111.084 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -54.55 -23.34 16.21 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.289 0.848 . . . . 72.22 113.289 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -78.92 -24.1 44.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.859 0.361 . . . . 73.31 111.517 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -81.63 -23.39 37.03 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.159 0.504 . . . . 74.42 111.408 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 85.7 m -81.12 61.44 4.67 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.581 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.436 HG13 ' HG3' ' A' ' 17' ' ' LYS . 39.3 t -128.63 -78.3 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 121.264 0.554 . . . . 75.31 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -157.87 -62.21 0.09 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.778 -0.646 . . . . 72.21 109.864 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.38 127.93 35.2 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.952 0.406 . . . . 63.14 111.494 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -79.36 45.01 0.63 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.523 0.678 . . . . 54.34 110.899 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -90.49 134.55 34.28 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.267 -0.879 . . . . 64.44 112.259 -168.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -79.3 -66.83 0.82 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.376 0.607 . . . . 65.44 111.198 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -76.16 73.48 3.0 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.581 -0.736 . . . . 72.23 110.724 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -82.51 -13.8 56.05 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.968 0.414 . . . . 74.53 111.815 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.739 -0.648 . . . . 54.43 110.901 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.784 0.326 . . . . 75.42 111.109 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.93 120.83 29.65 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.842 0.353 . . . . 75.34 111.548 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -92.82 11.57 26.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.899 0.38 . . . . 64.13 111.435 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.9 76.69 1.05 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.354 0.597 . . . . 75.01 110.265 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -88.78 153.92 50.06 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 116.081 -0.509 . . . . 71.11 111.908 -173.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.73 175.98 3.24 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.786 2.324 . . . . 63.12 113.45 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.0 mp -93.08 102.5 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.237 -0.438 . . . . 61.52 111.341 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.99 111.74 22.7 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.042 0.449 . . . . 74.01 110.07 177.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.39 116.06 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 116.144 -0.48 . . . . 64.24 111.929 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.46 25.83 13.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.384 0.883 . . . . 42.01 113.384 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.08 -2.56 35.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.121 -0.561 . . . . 62.32 113.255 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -111.07 111.94 23.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.055 0.455 . . . . 53.12 111.186 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -92.42 133.13 36.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.01 -0.541 . . . . 55.12 111.471 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.508 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 73.2 m-85 -129.79 129.93 44.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.069 -0.514 . . . . 71.4 111.075 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.69 -37.22 76.53 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.146 0.425 . . . . 74.4 112.146 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.99 173.68 8.98 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.199 0.523 . . . . 70.21 111.635 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -43.23 65.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.184 -0.462 . . . . 54.2 111.22 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.15 -28.37 52.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.022 -0.536 . . . . 65.15 112.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.508 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 98.3 m-20 -61.45 -57.72 11.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.271 -0.422 . . . . 64.34 111.759 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.61 81.98 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.089 0.471 . . . . 34.43 111.345 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD22 ' HA ' ' A' ' 93' ' ' LYS . 80.6 mt -61.19 -42.71 99.06 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.016 -0.538 . . . . 71.13 111.19 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.345 -0.389 . . . . 51.1 111.295 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.09 -51.27 64.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.035 0.445 . . . . 64.21 111.275 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.49 -39.69 92.2 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.558 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -62.03 -37.02 83.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.923 0.342 . . . . 71.44 111.923 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 22' ' ' ALA . 89.2 t -61.38 -60.41 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.715 0.293 . . . . 63.15 111.311 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.413 ' O ' ' HD2' ' A' ' 31' ' ' TYR . 26.9 ptt? -62.33 -32.6 73.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.738 0.304 . . . . 72.11 111.347 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.77 -46.41 81.49 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.072 0.463 . . . . 54.32 110.99 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -80.77 -3.2 50.07 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.824 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.6 tmt_? -83.68 -44.09 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.735 -0.468 . . . . 74.35 109.735 174.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.549 ' HB2' HG21 ' A' ' 68' ' ' VAL . 94.1 m-85 -80.77 144.48 32.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.012 0.434 . . . . 75.13 110.889 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 47.0 mtm180 -96.89 163.47 20.08 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.66 -0.245 . . . . 74.32 110.666 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 45.3 Cg_exo -56.69 76.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.636 2.224 . . . . 64.24 113.083 177.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 155.08 -21.0 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 CA-C-N 115.274 -0.875 . . . . 61.01 113.81 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.05 142.96 41.65 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.228 0.537 . . . . 34.24 111.936 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -90.5 132.83 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.979 -0.555 . . . . 75.11 111.344 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.18 140.04 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 73.11 111.587 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -66.39 169.36 7.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.068 0.461 . . . . 73.02 112.1 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -64.87 -51.04 64.17 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.192 -0.458 . . . . 73.24 112.194 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.55 -49.81 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 121.091 0.472 . . . . 64.23 111.137 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.54 -45.63 69.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.966 -0.561 . . . . 72.41 111.128 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -63.89 -42.19 98.48 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 115.986 -0.552 . . . . 73.22 113.048 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.75 74.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.05 0.453 . . . . 71.13 111.117 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.04 -45.97 91.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.129 -0.487 . . . . 62.24 110.294 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.1 -38.24 88.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.941 -0.572 . . . . 72.5 111.862 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' GLY . 89.7 t -62.06 -51.19 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 120.732 0.301 . . . . 70.43 111.189 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.27 -38.51 89.59 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.879 0.371 . . . . 55.3 111.099 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.45 80.81 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.171 0.51 . . . . 75.35 111.144 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.99 -42.96 75.82 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.035 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -55.1 -29.7 58.17 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.118 0.784 . . . . 62.02 113.118 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -86.89 22.13 2.08 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.891 -0.505 . . . . 74.41 111.725 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -116.54 143.63 31.63 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 122.676 0.39 . . . . 62.4 110.163 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.56 -47.18 26.95 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.536 2.157 . . . . 73.13 113.583 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.46 15.87 3.45 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.427 0.528 . . . . 50.41 112.427 -176.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.8 -65.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.242 0.46 . . . . 43.33 112.242 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -52.19 -36.68 52.56 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.269 0.47 . . . . 55.51 112.269 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.5 m -65.57 -29.69 70.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.791 0.329 . . . . 53.12 111.652 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.544 ' HD2' ' HG2' ' A' ' 88' ' ' GLU . 72.4 mmtt -99.47 -12.7 19.97 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.158 0.429 . . . . 73.21 112.158 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.9 mt -86.23 -45.99 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.991 0.424 . . . . 72.22 110.782 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.29 -114.8 6.83 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 116.14 -0.482 . . . . 61.15 113.071 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -76.46 -22.59 12.22 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.589 2.193 . . . . 61.44 112.92 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.83 159.72 8.97 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.279 -0.486 . . . . 61.15 113.245 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 126.89 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.972 0.415 . . . . 73.05 111.271 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.14 -53.67 5.36 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.007 0.432 . . . . 54.44 109.967 178.279 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -167.82 -173.31 2.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.992 0.425 . . . . 75.52 111.08 174.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -123.52 143.76 49.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.495 -0.32 . . . . 74.42 110.987 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -121.83 135.64 54.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.728 0.299 . . . . 71.33 110.621 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.549 HG21 ' HB2' ' A' ' 31' ' ' TYR . 86.9 t -91.94 121.54 42.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 64.45 111.947 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 87.3 mtt180 -137.04 -167.72 2.14 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.599 . . . . 74.22 110.625 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t -82.66 171.56 13.89 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.028 0.442 . . . . 61.21 111.531 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 77' ' ' CYS . . . -129.48 -68.03 0.74 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.178 -0.464 . . . . 44.24 111.208 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -107.16 -72.49 0.72 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.957 0.408 . . . . 74.01 111.287 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -134.67 -71.13 0.49 Allowed 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.125 0.488 . . . . 45.21 110.528 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.36 -9.04 45.45 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-N 115.96 -0.564 . . . . 51.15 112.056 175.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.7 p -76.87 128.73 35.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.84 0.352 . . . . 72.43 111.245 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -94.99 161.5 14.11 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.009 0.433 . . . . 73.11 111.502 177.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 43.0 t -144.18 149.42 36.42 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.048 0.452 . . . . 73.51 111.705 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -85.81 126.99 34.44 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.662 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.452 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 38.6 m95 -101.82 125.1 48.42 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.961 0.41 . . . . 62.44 111.127 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.46 105.8 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.167 -0.47 . . . . 72.45 111.533 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -85.96 101.07 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.143 0.497 . . . . 72.3 110.063 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 39.5 mtm180 -80.15 152.66 29.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 74.54 111.734 -176.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.1 p -61.04 -19.82 61.83 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.382 0.61 . . . . 73.41 110.85 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.21 -35.91 62.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.207 -0.906 . . . . 73.14 111.788 172.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.84 -24.03 10.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 62.31 112.794 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -92.71 163.36 13.78 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.415 0.626 . . . . 63.22 111.981 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.559 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.9 pt-20 -118.18 158.63 24.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.905 -0.588 . . . . 74.41 112.298 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.544 ' HG2' ' HD2' ' A' ' 58' ' ' LYS . 9.0 tp10 -139.9 162.96 33.93 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.019 -0.537 . . . . 72.54 110.711 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -130.8 130.69 44.0 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.755 0.312 . . . . 74.24 111.747 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -130.39 126.38 36.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.181 0.515 . . . . 75.12 111.713 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -74.41 92.07 2.29 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.95 0.405 . . . . 63.51 111.292 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -45.34 -40.57 7.99 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.838 1.051 . . . . 71.54 113.838 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.523 ' HA ' HD22 ' A' ' 21' ' ' LEU . 62.9 pttt -78.46 -16.69 57.28 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.572 0.953 . . . . 75.24 113.572 -172.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -87.05 67.82 9.85 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.281 0.562 . . . . 74.44 111.343 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 29.5 p -164.32 29.0 0.07 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.815 -0.629 . . . . 73.11 111.336 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG22 HD11 ' A' ' 21' ' ' LEU . 38.8 t -83.01 -38.78 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 121.698 0.761 . . . . 75.31 110.253 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tt -137.95 -67.53 0.48 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.053 -0.976 . . . . 73.13 108.803 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -144.65 171.37 14.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.846 -0.616 . . . . 75.32 111.163 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -56.15 139.48 47.29 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.177 -0.465 . . . . 73.12 111.879 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -136.71 136.0 38.63 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.824 0.345 . . . . 73.03 110.904 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -81.95 168.18 18.15 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.321 0.581 . . . . 73.41 112.321 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -92.57 147.79 22.6 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.89 -0.596 . . . . 72.12 111.503 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -123.96 127.35 47.81 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.903 0.382 . . . . 53.42 111.412 176.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--O 1.252 1.218 0 CA-C-O 118.501 -0.762 . . . . 75.34 111.301 179.295 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtm . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.628 0.251 . . . . 52.12 111.169 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.56 99.19 1.24 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.054 0.454 . . . . 74.43 111.159 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -138.9 169.49 17.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.071 0.463 . . . . 70.13 111.518 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.06 68.89 7.52 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.24 0.543 . . . . 64.13 110.082 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 51.8 mt-30 -83.37 145.86 49.38 Favored Pre-proline 0 N--CA 1.469 0.494 0 CA-C-N 115.826 -0.625 . . . . 72.04 112.471 -173.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 5' ' ' GLN . 8.0 Cg_exo -72.96 133.39 19.77 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.778 2.318 . . . . 72.5 111.554 172.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -70.84 91.53 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.064 0.459 . . . . 72.1 110.917 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -95.9 113.5 25.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.792 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -129.67 120.4 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.528 -0.306 . . . . 63.32 111.446 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.6 31.28 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.838 0.681 . . . . 54.22 112.838 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.95 27.18 29.46 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.15 -0.548 . . . . 75.03 113.084 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -132.76 114.07 13.69 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.591 -0.359 . . . . 72.43 110.328 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 124.28 41.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.246 0.546 . . . . 50.4 111.855 -176.164 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.52 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 96.7 m-85 -115.97 149.63 38.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.97 0.414 . . . . 74.45 111.714 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.13 -25.12 37.16 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.672 0.619 . . . . 75.52 112.672 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 10.1 tpp180 -145.18 153.41 41.34 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.692 -0.231 . . . . 72.33 110.798 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 22.0 tptm -56.78 -44.92 82.32 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.876 -0.515 . . . . 74.52 111.058 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -23.37 67.3 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.301 -0.409 . . . . 60.03 111.944 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 25.8 t0 -69.1 -42.89 75.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.104 0.478 . . . . 73.45 110.541 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.89 95.4 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.147 0.499 . . . . 71.23 111.064 174.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 84.6 mt -60.8 -41.97 96.67 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.969 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.14 -47.01 86.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.222 -0.445 . . . . 65.01 111.44 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -55.7 -49.76 72.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.875 0.369 . . . . 73.43 111.195 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -60.37 -37.87 82.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.442 -0.344 . . . . 73.21 111.39 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.38 -38.67 91.83 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.803 0.335 . . . . 75.12 111.241 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 22' ' ' ALA . 80.3 t -57.9 -59.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.451 -0.34 . . . . 70.34 111.198 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.477 ' O ' ' HD1' ' A' ' 31' ' ' TYR . 27.0 ptt? -63.84 -31.15 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.857 -0.337 . . . . 65.21 111.24 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 HG13 ' A' ' 68' ' ' VAL . 52.4 tp -57.36 -44.34 84.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.105 0.479 . . . . 72.41 110.815 174.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -77.66 -16.6 58.41 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.131 -0.486 . . . . 75.32 111.508 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -70.15 -43.43 70.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.458 -0.337 . . . . 61.32 110.207 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.604 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 81.6 m-85 -89.03 157.97 18.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.963 0.411 . . . . 75.03 111.064 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.576 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 7.3 mpt_? -97.6 158.37 33.16 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-N 116.659 -0.246 . . . . 74.21 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.39 79.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.741 2.294 . . . . 65.24 112.659 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.09 -8.32 0.92 Allowed Glycine 0 CA--C 1.529 0.957 0 CA-C-N 114.472 -1.24 . . . . 74.0 113.062 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 18.4 m-20 -82.16 139.82 34.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.386 0.613 . . . . 73.54 111.87 -178.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -80.36 131.46 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.063 -0.517 . . . . 72.01 110.972 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.42 128.39 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 120.749 0.309 . . . . 72.32 110.957 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -63.53 169.78 3.62 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.59 0.589 . . . . 73.14 112.59 -175.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.0 m -53.99 -61.39 2.34 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.841 0.682 . . . . 63.14 112.841 -175.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.09 -49.4 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.027 0.442 . . . . 72.4 111.533 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.89 -44.91 70.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.87 -0.605 . . . . 74.41 111.343 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.533 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -67.22 -44.71 85.52 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.9 -0.591 . . . . 75.42 112.881 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.26 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.112 0.482 . . . . 41.03 111.267 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.32 -51.16 70.71 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.586 -0.734 . . . . 74.32 110.955 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.06 -36.99 78.54 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.009 -0.542 . . . . 63.31 112.062 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 42' ' ' GLY . 66.3 t -58.97 -50.69 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.856 0.36 . . . . 72.32 111.391 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.45 -39.97 92.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.953 0.406 . . . . 74.23 110.989 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.7 74.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.24 -0.436 . . . . 63.11 111.216 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.27 -44.51 71.75 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.15 -0.477 . . . . 70.52 111.25 177.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HE3' HG12 ' A' ' 46' ' ' VAL . 98.9 mttt -57.41 -24.01 52.88 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.219 0.452 . . . . 72.31 112.219 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -95.15 23.89 5.37 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.262 0.467 . . . . 74.43 112.262 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -100.14 149.82 36.35 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-N 116.59 -0.277 . . . . 64.33 110.959 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.87 -48.7 19.83 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.629 2.22 . . . . 53.35 112.6 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -104.33 66.67 0.82 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.361 0.601 . . . . 63.51 110.817 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.43 -37.08 25.97 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.953 175.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.1 t -50.64 -47.08 58.59 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.897 0.703 . . . . 75.0 112.897 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -22.16 44.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.989 0.366 . . . . 62.21 111.989 -175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -86.36 -23.53 26.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.835 0.35 . . . . 75.42 111.34 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -98.6 -69.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.904 0.383 . . . . 73.03 111.278 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.49 -114.69 4.53 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 121.255 -0.497 . . . . 73.33 112.638 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 49.1 Cg_endo -68.44 -35.71 17.25 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.445 2.097 . . . . 75.23 113.079 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.68 165.73 18.05 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.124 -0.56 . . . . 70.24 113.086 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 129.56 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 122.526 -0.396 . . . . 63.31 111.308 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -83.47 -52.21 6.7 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.356 -0.384 . . . . 72.31 110.09 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -175.13 178.3 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.918 0.389 . . . . 73.41 110.957 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.77 143.61 46.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.858 0.361 . . . . 72.15 110.718 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -127.81 127.68 43.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.822 0.344 . . . . 61.53 111.28 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 31' ' ' TYR . 88.0 t -76.3 102.31 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.298 0.57 . . . . 62.35 109.74 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.672 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 33.3 ttt180 -136.76 156.55 48.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.878 -0.601 . . . . 52.14 111.347 -167.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -63.1 157.44 22.22 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.857 0.688 . . . . 72.22 112.857 -174.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.405 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . . . -135.12 -56.72 0.81 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.795 -0.639 . . . . 54.22 111.245 177.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -117.72 -167.82 1.4 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.173 -0.467 . . . . 51.21 110.742 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -64.86 88.29 0.06 Allowed 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.065 0.46 . . . . 72.45 111.187 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.66 32.19 34.3 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.275 -0.488 . . . . 72.14 113.781 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.0 p -122.41 146.59 47.21 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 117.404 0.602 . . . . 33.52 111.679 178.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -103.89 148.91 25.6 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.049 -0.523 . . . . 73.53 111.705 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -148.55 159.27 44.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.937 0.399 . . . . 74.3 111.162 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -87.36 115.3 24.68 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.916 0.389 . . . . 72.33 111.17 176.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.672 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 25.5 m95 -95.43 132.47 40.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.016 0.436 . . . . 73.03 111.49 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.08 112.08 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 116.042 -0.527 . . . . 71.3 111.403 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -88.19 124.38 33.77 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.58 -0.526 . . . . 54.11 109.58 172.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -106.42 146.09 30.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.056 0.455 . . . . 74.4 112.099 -174.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -66.21 -19.69 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.361 0.504 . . . . 72.15 112.361 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.563 ' HB3' ' HG3' ' A' ' 61' ' ' PRO . 3.1 p30 -75.72 -25.27 56.48 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.272 -0.268 . . . . 73.51 111.706 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.34 -9.19 8.33 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 121.062 -0.589 . . . . 64.54 113.959 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 m -89.55 152.57 21.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 117.367 0.584 . . . . 65.23 111.862 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.12 141.29 40.18 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.022 0.439 . . . . 74.42 111.545 175.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -145.61 -178.41 6.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.018 0.437 . . . . 73.43 111.216 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.405 ' NH1' ' HA ' ' A' ' 71' ' ' ALA . 20.9 ptt180 -129.4 133.41 47.35 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.318 -0.401 . . . . 75.1 110.686 173.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -107.42 125.07 50.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.174 0.511 . . . . 73.31 111.73 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.8 m -74.37 76.7 1.88 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.071 0.462 . . . . 72.13 111.38 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -55.16 -36.38 65.77 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.046 0.45 . . . . 75.2 111.949 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -65.92 -12.44 54.7 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.693 0.627 . . . . 64.1 112.693 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -109.71 22.47 15.65 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.393 0.616 . . . . 74.15 111.336 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.5 t -106.7 44.53 1.05 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.017 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.58 -90.28 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 O-C-N 121.954 -0.466 . . . . 61.44 112.229 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.7 mt -155.49 156.18 34.77 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.822 0.344 . . . . 74.22 111.883 -174.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -89.71 138.38 31.53 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.929 0.395 . . . . 71.41 111.196 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -168.62 134.78 1.83 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.245 -0.434 . . . . 70.14 110.736 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -60.35 110.04 1.15 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.014 0.435 . . . . 63.32 111.436 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -54.99 161.04 1.78 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.795 0.665 . . . . 64.4 112.795 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -52.49 153.67 2.91 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.775 -0.648 . . . . 71.43 111.806 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -68.06 168.8 11.29 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.788 -0.187 . . . . 73.4 110.505 172.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.0 m170 . . . . . 0 C--O 1.254 1.336 0 N-CA-C 113.036 0.754 . . . . 73.31 113.036 -173.598 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 120.64 0.257 . . . . 64.24 111.467 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.74 -24.66 35.95 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.306 0.574 . . . . 72.53 110.896 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -95.85 178.37 5.46 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.975 -0.557 . . . . 71.24 111.073 175.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.02 136.2 38.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 120.808 0.337 . . . . 62.12 111.027 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.39 155.92 92.22 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 111.864 0.32 . . . . 70.55 111.864 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -53.02 146.49 37.32 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.671 2.247 . . . . 65.01 112.254 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.4 mp -71.99 93.63 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 120.986 0.422 . . . . 74.42 110.826 -175.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -105.76 109.13 20.98 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.002 0.429 . . . . 64.43 110.656 179.32 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.11 116.76 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 111.991 0.367 . . . . 73.12 111.991 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.06 23.2 12.44 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.054 0.761 . . . . 53.24 113.054 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.49 27.88 9.49 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.228 -0.511 . . . . 74.25 112.501 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 82.6 m-70 -137.64 106.04 5.8 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.418 0.287 . . . . 71.24 110.851 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.0 134.12 34.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.092 0.472 . . . . 72.41 111.772 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 94.4 m-85 -124.99 143.03 51.11 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.006 0.431 . . . . 72.3 111.365 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -40.13 72.18 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.579 0.585 . . . . 74.31 112.579 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.17 166.46 23.34 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.115 -0.366 . . . . 74.33 111.323 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HG2' HG13 ' A' ' 96' ' ' VAL . 43.4 tptt -59.15 -46.46 88.31 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.996 0.427 . . . . 72.12 111.681 -175.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.2 -19.52 65.4 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.307 -0.406 . . . . 75.41 111.84 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 44.8 t0 -66.32 -41.4 89.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.206 0.527 . . . . 72.14 110.613 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.75 60.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.927 -0.579 . . . . 71.34 111.42 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.29 -36.15 81.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.373 -0.376 . . . . 62.1 111.358 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.2 -51.96 67.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.399 -0.364 . . . . 53.45 110.425 173.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -50.37 -47.85 55.97 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.986 -0.552 . . . . 61.33 111.408 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 62.9 mtt -58.29 -51.39 69.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.12 0.486 . . . . 51.44 111.313 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -64.89 -35.58 81.61 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.179 -0.464 . . . . 61.01 111.808 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 22' ' ' ALA . 70.1 t -66.44 -53.28 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 111.636 0.235 . . . . 72.53 111.636 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -65.66 -28.19 68.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 120.916 -0.313 . . . . 73.22 111.118 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -58.28 -53.35 59.24 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.078 0.466 . . . . 73.42 111.137 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.66 -9.51 50.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.684 0.624 . . . . 71.24 112.684 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 4.0 tmt_? -68.53 -36.33 78.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.162 0.506 . . . . 73.21 109.94 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' HB2' HG21 ' A' ' 68' ' ' VAL . 56.0 m-85 -93.71 166.41 12.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.911 -0.586 . . . . 70.35 110.678 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.559 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 2.7 mpt_? -103.05 159.35 29.56 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 109.681 -0.488 . . . . 71.15 109.681 174.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -63.14 23.24 0.05 OUTLIER 'Trans proline' 0 CA--C 1.553 1.437 0 C-N-CA 122.974 2.449 . . . . 72.22 115.004 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.99 11.35 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 122.054 -0.403 . . . . 62.24 112.691 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -105.85 161.28 14.57 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.581 0.705 . . . . 75.43 112.458 -177.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mm -97.85 141.39 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 115.493 -0.776 . . . . 72.12 110.647 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.74 140.4 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.517 -0.31 . . . . 71.04 111.278 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -62.39 166.12 5.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.083 0.468 . . . . 64.41 112.181 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -59.78 -52.94 63.3 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.175 -0.466 . . . . 75.21 112.255 -176.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.87 -53.24 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 121.172 0.51 . . . . 74.42 111.604 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.5 -45.64 69.74 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.92 -0.582 . . . . 72.14 111.18 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -64.14 -41.81 98.27 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 116.077 -0.511 . . . . 74.42 112.756 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.67 76.05 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.008 0.432 . . . . 63.24 111.287 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.62 -46.47 90.16 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.896 -0.593 . . . . 62.32 110.765 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.33 -41.72 97.49 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.041 -0.527 . . . . 73.1 111.896 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG12 ' HE3' ' A' ' 50' ' ' LYS . 64.9 t -57.52 -52.22 59.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-O 120.969 0.414 . . . . 72.43 111.105 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -65.69 -34.6 78.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.838 0.351 . . . . 74.12 111.265 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.8 97.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.194 0.521 . . . . 72.11 110.875 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 80' ' ' ILE . 67.9 tp -63.39 -43.39 97.73 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.954 -0.567 . . . . 73.31 110.654 174.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.5 mttt -61.19 -11.85 10.7 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.657 0.614 . . . . 73.45 112.657 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -77.04 0.42 21.39 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.976 0.417 . . . . 61.31 110.975 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.613 ' HE2' ' HG ' ' A' ' 95' ' ' CYS . 73.6 m-70 -115.73 133.84 22.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.337 174.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.39 -13.15 31.08 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.235 1.957 . . . . 74.35 112.741 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.06 -2.79 58.89 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.86 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.78 70.2 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.19 0.441 . . . . 70.11 112.19 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -47.57 -34.08 7.28 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.587 0.588 . . . . 62.31 112.587 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -67.09 -44.74 79.25 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.012 0.434 . . . . 72.41 111.212 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 66.4 mttm -82.14 -26.49 33.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.167 -0.469 . . . . 65.03 112.12 -176.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.6 mt -83.04 -47.73 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 120.889 0.376 . . . . 63.02 111.426 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.22 -113.38 4.75 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.336 -0.459 . . . . 61.41 113.194 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.14 -26.88 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.473 2.115 . . . . 74.11 112.745 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.3 164.44 12.35 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.006 -0.616 . . . . 72.31 113.175 -178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.48 118.1 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.953 0.406 . . . . 74.33 111.145 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -68.8 -54.12 17.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.104 0.478 . . . . 73.33 110.544 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -174.54 -173.94 0.79 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.713 -0.676 . . . . 63.1 110.843 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 80' ' ' ILE . 70.4 m-85 -121.84 139.95 52.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.82 0.343 . . . . 62.15 111.178 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -112.26 136.87 51.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.853 0.359 . . . . 73.12 110.876 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.0 t -87.45 109.21 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.032 -0.358 . . . . 75.01 110.032 175.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -129.8 150.25 51.19 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.652 0.263 . . . . 63.14 111.025 -176.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p -74.77 142.46 44.29 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.753 0.311 . . . . 40.53 110.834 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -133.03 -69.0 0.57 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.451 0.537 . . . . 63.15 112.451 -175.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -147.61 167.64 24.05 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.579 -0.282 . . . . 75.15 110.561 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 63.29 5.05 1.85 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.705 0.402 . . . . 72.34 111.709 -175.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.3 18.88 73.72 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 120.888 -0.672 . . . . 74.12 112.026 -169.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.5 p -105.6 177.68 4.78 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.245 0.545 . . . . 72.13 111.695 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -96.94 162.07 13.56 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.899 -0.591 . . . . 52.44 111.596 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 71' ' ' ALA . 87.4 m -147.33 149.83 33.58 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.313 -0.403 . . . . 50.22 110.971 176.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -86.03 123.45 31.36 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.905 0.384 . . . . 73.21 111.83 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 53.4 m95 -104.55 128.63 52.57 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.207 0.527 . . . . 64.13 111.507 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.468 HG12 ' CE2' ' A' ' 66' ' ' PHE . 30.4 mt -85.44 103.5 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.74 -0.663 . . . . 71.12 111.376 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.82 111.01 16.88 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.962 -0.461 . . . . 51.33 110.229 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -83.48 149.52 26.58 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.863 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -67.79 -13.68 62.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.653 0.612 . . . . 73.01 112.653 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -78.62 -32.18 47.35 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 122.217 -0.302 . . . . 63.14 111.568 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.22 -8.4 5.08 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.099 -0.572 . . . . 70.13 113.699 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.9 t -90.54 147.86 23.08 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.556 -0.379 . . . . 64.4 111.851 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -107.18 109.35 21.15 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.485 0.659 . . . . 71.51 111.495 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' A' ' 58' ' ' LYS . 10.0 tp10 -95.04 170.41 9.43 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.341 -0.845 . . . . 74.43 110.581 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 13.0 ptm180 -146.41 165.44 29.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.886 -0.509 . . . . 73.31 111.366 173.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -151.23 141.61 22.44 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.055 0.455 . . . . 74.43 111.391 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -84.76 84.02 7.83 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.863 0.363 . . . . 63.53 110.924 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -51.84 -44.13 63.46 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.849 0.357 . . . . 63.51 111.914 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.403 ' H ' ' HG3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -73.81 18.47 0.13 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.122 0.786 . . . . 75.14 113.122 -177.001 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 46.6 mtpt -125.86 14.9 8.02 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.964 0.411 . . . . 74.21 110.974 171.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.613 ' HG ' ' HE2' ' A' ' 52' ' ' HIS . 73.5 m -93.7 28.29 2.39 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.152 0.427 . . . . 61.55 112.152 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 17' ' ' LYS . 61.6 t -88.19 -86.69 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-O 120.716 0.293 . . . . 75.24 111.443 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 62.3 mt -156.79 -160.94 1.02 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.76 0.824 . . . . 75.2 109.127 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.82 116.21 3.93 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.073 0.463 . . . . 54.23 110.423 170.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -76.96 66.42 2.8 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.162 -0.681 . . . . 71.55 109.162 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -73.09 124.25 25.17 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.3 -0.864 . . . . 73.2 112.593 -166.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -141.94 144.69 33.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.919 -0.582 . . . . 73.11 111.234 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -59.72 119.33 7.43 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.866 0.365 . . . . 72.14 111.733 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -81.72 140.8 34.09 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.864 0.364 . . . . 65.11 111.015 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.791 -0.624 . . . . 70.02 110.612 175.539 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 110.282 -0.266 . . . . 72.51 110.282 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.6 143.68 49.86 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.665 0.269 . . . . 71.41 111.61 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.45 28.6 0.2 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.553 0.575 . . . . 64.41 112.553 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.06 175.77 6.16 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 111.742 0.275 . . . . 73.52 111.742 178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' HB3' ' HD2' ' A' ' 6' ' ' PRO . 49.9 mt-30 66.77 165.51 0.12 Allowed Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 122.87 0.468 . . . . 73.32 112.244 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 5' ' ' GLN . 11.0 Cg_endo -55.12 139.5 80.34 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.078 1.852 . . . . 73.53 111.56 171.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 2.4 mp -71.0 107.61 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.877 0.37 . . . . 71.34 111.121 -176.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 5.3 tm-20 -97.99 124.15 42.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.34 -0.391 . . . . 75.22 111.07 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.4 mt -137.46 109.6 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.403 -0.362 . . . . 75.13 110.584 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.67 30.3 19.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.465 0.543 . . . . 74.25 112.465 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.0 -4.03 65.11 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 121.141 -0.552 . . . . 41.43 113.21 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 66.5 m-70 -95.56 131.47 41.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 122.366 -0.491 . . . . 73.32 110.907 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.56 132.88 53.72 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.348 0.594 . . . . 73.34 111.274 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.558 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 76.2 m-85 -122.41 141.23 51.81 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.189 -0.459 . . . . 70.45 111.604 -178.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.25 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.271 0.471 . . . . 55.04 112.271 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 166.31 24.64 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.823 0.344 . . . . 73.44 111.55 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.708 ' HE2' ' HA ' ' A' ' 96' ' ' VAL . 47.3 tptt -53.83 -47.31 71.05 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.092 0.472 . . . . 72.13 111.468 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -26.45 68.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.117 -0.492 . . . . 73.13 112.223 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 43.5 t0 -65.89 -36.74 84.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.233 0.54 . . . . 71.21 110.578 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -46.85 52.57 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.107 -0.497 . . . . 55.03 111.495 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.56 -44.7 95.67 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.067 -0.515 . . . . 72.23 111.443 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.46 -38.56 87.69 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.27 -0.423 . . . . 64.12 111.553 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.05 -49.57 73.36 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.032 0.444 . . . . 73.21 110.955 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.08 -39.8 93.66 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.12 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.6 -44.42 93.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.464 -0.335 . . . . 71.52 111.038 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 22' ' ' ALA . 89.3 t -56.94 -57.67 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 111.726 0.269 . . . . 72.23 111.726 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -65.59 -34.2 77.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.886 -0.326 . . . . 64.52 111.296 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.42 -46.42 80.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.322 0.582 . . . . 63.32 110.611 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -76.67 -10.48 59.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.689 -0.687 . . . . 51.23 111.441 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -77.65 -41.76 37.18 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 120.891 0.377 . . . . 72.33 110.121 176.284 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' HB2' HG21 ' A' ' 68' ' ' VAL . 97.3 m-85 -80.88 170.07 16.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.105 0.479 . . . . 73.42 111.365 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 6.7 mpt_? -107.76 153.16 41.69 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 116.573 -0.285 . . . . 73.44 110.788 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.87 78.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.651 2.234 . . . . 65.22 112.405 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.35 -17.94 0.16 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 114.785 -1.098 . . . . 45.03 113.45 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -83.92 157.01 22.09 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.962 0.727 . . . . 54.2 112.962 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.455 HD12 ' ND2' ' A' ' 65' ' ' ASN . 51.0 mm -96.13 134.53 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.214 -0.903 . . . . 75.51 110.266 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.47 139.55 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 112.097 0.406 . . . . 73.43 112.097 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.6 t -56.23 165.03 1.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.537 0.569 . . . . 64.54 112.537 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 84.9 m -58.36 -56.27 24.24 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.488 0.551 . . . . 52.14 112.488 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.4 -48.38 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 120.957 0.408 . . . . 73.34 111.496 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.19 -35.46 80.4 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.174 0.511 . . . . 73.14 111.149 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -65.75 -41.96 95.48 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 116.113 -0.494 . . . . 34.51 112.345 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.06 74.6 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.12 0.486 . . . . 62.42 110.896 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.17 -47.7 82.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.95 -0.568 . . . . 74.44 110.526 173.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.35 -38.48 91.32 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.085 -0.507 . . . . 74.12 112.046 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 42' ' ' GLY . 98.3 t -55.79 -49.49 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.918 0.39 . . . . 64.11 110.994 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.96 -46.31 82.07 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.801 0.334 . . . . 75.22 111.492 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.478 -0.328 . . . . 75.3 111.477 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -78.48 -57.47 3.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.153 -0.476 . . . . 63.12 111.763 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -49.0 -31.06 6.84 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.999 0.74 . . . . 72.51 112.999 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -86.1 20.54 2.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.44 0.533 . . . . 72.23 112.44 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.414 ' CE1' ' HG ' ' A' ' 95' ' ' CYS . 79.1 m-70 -111.9 140.94 23.91 Favored Pre-proline 0 N--CA 1.471 0.596 0 N-CA-C 110.157 -0.312 . . . . 74.43 110.157 170.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.82 -37.17 57.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 121.972 1.782 . . . . 72.13 111.502 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.83 54.15 3.01 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.746 -0.661 . . . . 74.35 111.226 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.51 -40.14 1.8 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.36 0.504 . . . . 74.53 112.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -44.48 -48.58 10.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.544 0.942 . . . . 73.43 113.544 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.1 p -74.31 -26.58 60.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.013 0.435 . . . . 74.43 111.556 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -78.16 -30.17 49.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.211 -0.45 . . . . 71.13 111.162 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -79.36 -48.89 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 71.22 111.177 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.71 -128.29 32.05 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 121.021 -0.609 . . . . 51.34 112.786 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.95 -11.33 23.52 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.516 2.144 . . . . 72.33 113.038 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.33 164.4 10.93 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.776 -0.726 . . . . 64.51 113.913 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG11 ' CE2' ' A' ' 66' ' ' PHE . 69.2 t -96.13 124.24 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.835 0.35 . . . . 74.14 111.078 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.546 ' HD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -85.64 -50.79 6.93 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.008 0.432 . . . . 73.24 110.359 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.546 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 3.3 p-10 -162.3 156.48 21.54 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.012 0.434 . . . . 61.22 111.977 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 63' ' ' VAL . 86.3 m-85 -103.62 126.63 50.88 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.454 -0.339 . . . . 70.11 110.752 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -109.1 137.69 46.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.882 0.372 . . . . 75.11 111.332 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 31' ' ' TYR . 97.9 t -87.67 121.07 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.787 0.327 . . . . 73.15 110.585 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 35.0 ttm180 -135.98 158.15 45.11 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.735 -0.211 . . . . 73.42 110.851 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.8 p -64.98 123.09 18.55 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.715 0.293 . . . . 61.0 111.304 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 77' ' ' CYS . . . -78.32 -78.87 0.13 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.521 0.563 . . . . 62.54 112.521 -175.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -88.99 -75.27 0.44 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.096 0.474 . . . . 63.24 111.009 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -135.35 -78.75 0.44 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.126 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.81 40.73 2.43 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 121.208 -0.52 . . . . 64.31 112.287 174.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.5 p -131.38 174.18 10.33 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.84 0.352 . . . . 65.14 111.085 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -125.38 158.66 33.74 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.097 0.475 . . . . 41.13 112.075 -175.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 41.9 t -153.17 159.95 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.961 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.12 134.94 34.11 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 120.859 0.362 . . . . 73.14 111.204 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.466 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 35.6 m95 -114.94 125.67 53.89 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.431 0.634 . . . . 75.01 111.908 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.36 99.11 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.43 -0.804 . . . . 71.31 111.515 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.1 mm? -83.55 101.81 11.71 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.689 -0.486 . . . . 74.23 109.689 172.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 86' ' ' SER . 1.2 mtp85 -78.76 158.11 28.32 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.999 -0.546 . . . . 64.01 112.181 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -67.29 -19.31 65.47 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.897 0.856 . . . . 74.32 109.86 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.71 -20.41 63.46 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.883 -1.053 . . . . 73.44 111.338 170.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.19 -40.88 2.27 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.203 -0.522 . . . . 72.35 112.444 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 26.9 m -66.1 144.51 56.65 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.772 0.32 . . . . 63.53 111.284 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.7 pt-20 -99.25 159.44 14.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.96 0.41 . . . . 75.05 111.038 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.43 169.72 20.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 62.22 110.478 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -143.26 160.22 40.88 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.088 -0.383 . . . . 73.12 111.327 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -143.35 124.0 14.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.207 0.527 . . . . 65.15 111.828 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 m -79.2 76.21 5.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.139 0.495 . . . . 43.44 110.76 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -53.15 -30.82 39.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.579 0.955 . . . . 65.23 113.579 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -72.12 -2.69 19.5 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.634 0.605 . . . . 73.24 112.634 -175.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -106.15 8.52 32.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.882 0.372 . . . . 62.14 111.582 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 95' ' ' CYS . 50.6 t -98.43 39.98 1.21 Allowed 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.002 0.43 . . . . 54.23 111.624 -176.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.708 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 44.6 t -95.14 -95.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 N-CA-C 112.169 0.433 . . . . 75.22 112.169 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.4 mt -164.27 155.74 15.94 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.251 0.62 . . . . 62.23 110.718 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -128.6 -59.84 1.13 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.474 -0.33 . . . . 72.41 111.02 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -54.82 -45.7 74.44 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.45 0.537 . . . . 75.42 112.45 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -64.72 -9.54 20.8 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.11 0.411 . . . . 44.54 112.11 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 53.25 157.53 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.626 1.17 . . . . 73.24 113.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -168.25 77.26 0.14 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.802 -0.635 . . . . 71.54 111.46 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -177.9 163.39 1.79 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.258 -0.428 . . . . 63.02 111.044 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.5 p80 . . . . . 0 C--O 1.254 1.291 0 CA-C-N 116.384 -0.371 . . . . 74.43 110.603 171.713 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 111.859 0.318 . . . . 60.33 111.859 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.42 164.01 28.4 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.889 0.376 . . . . 72.14 111.774 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -71.66 99.48 2.11 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.099 0.476 . . . . 72.13 110.426 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.64 140.58 18.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.194 -0.457 . . . . 33.13 110.947 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -112.1 95.26 29.1 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-O 120.86 0.362 . . . . 75.13 111.517 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.25 114.16 1.27 Allowed 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.191 2.594 . . . . 74.01 112.723 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -75.1 96.1 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.187 0.517 . . . . 43.42 110.071 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.4 tt0 -96.0 100.45 12.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.115 -0.493 . . . . 54.44 111.339 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -111.45 116.13 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 111.97 0.359 . . . . 62.34 111.97 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.86 31.73 20.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.339 0.496 . . . . 54.02 112.339 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.74 -16.73 58.34 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.046 -0.597 . . . . 74.35 113.254 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -87.44 103.82 15.87 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 70.14 110.748 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 5.6 pt-20 -90.88 98.9 12.05 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.137 0.494 . . . . 71.45 112.108 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -91.15 114.38 26.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.385 -0.37 . . . . 74.34 111.017 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.78 5.37 1.52 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.73 0.641 . . . . 72.32 112.73 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -165.04 143.49 6.43 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.783 0.325 . . . . 62.14 111.197 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.633 ' HE3' HD21 ' A' ' 21' ' ' LEU . 53.9 tptt -56.11 -44.31 78.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.762 0.315 . . . . 74.34 111.178 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.39 73.31 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.29 -0.414 . . . . 75.22 111.948 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -66.3 -43.13 87.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.059 0.457 . . . . 72.33 110.332 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.97 90.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.048 -0.524 . . . . 63.13 111.331 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.633 HD21 ' HE3' ' A' ' 17' ' ' LYS . 89.1 mt -59.21 -44.2 92.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.181 -0.463 . . . . 44.53 111.53 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.31 -53.77 54.31 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.429 -0.351 . . . . 63.32 111.125 176.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -53.74 -50.08 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.845 0.355 . . . . 60.44 111.658 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.518 ' SD ' ' HB2' ' A' ' 92' ' ' TYR . 66.1 mtt -57.04 -46.74 82.19 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.948 0.404 . . . . 71.43 111.141 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -40.26 96.73 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.157 -0.474 . . . . 61.12 110.894 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' ALA . 72.0 t -59.04 -54.14 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 111.748 0.277 . . . . 51.45 111.748 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -70.37 -27.31 64.22 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.896 0.379 . . . . 74.11 111.253 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD12 HG13 ' A' ' 68' ' ' VAL . 54.1 tp -61.63 -41.7 97.85 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.234 0.54 . . . . 72.43 110.617 174.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -85.35 -7.44 58.97 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.959 -0.564 . . . . 75.03 111.896 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -74.6 -49.68 20.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.014 0.435 . . . . 71.33 110.209 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -72.67 140.68 48.07 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 72.42 110.89 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -86.77 159.74 51.48 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.021 -0.536 . . . . 74.55 110.649 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.94 -1.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.355 2.703 . . . . 71.14 115.546 -176.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -131.72 17.62 4.94 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.158 -0.544 . . . . 61.23 113.407 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -99.66 129.59 45.81 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.339 0.59 . . . . 63.31 112.027 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.6 mm -81.17 133.85 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.74 -0.664 . . . . 73.12 110.585 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.3 136.4 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.326 -0.397 . . . . 65.34 111.782 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -64.56 171.54 3.2 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.234 -0.439 . . . . 72.54 112.155 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.3 m -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.805 0.336 . . . . 71.34 111.728 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.83 -60.8 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.903 0.383 . . . . 44.12 111.192 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 44' ' ' PHE . 4.8 m-20 -57.95 -36.13 72.11 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.293 0.568 . . . . 55.31 110.971 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.78 -48.49 83.68 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-N 115.959 -0.564 . . . . 71.15 112.591 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.54 -40.05 71.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.027 0.442 . . . . 70.33 111.192 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 41' ' ' ASP . 68.2 t80 -54.17 -48.69 70.64 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.988 -0.551 . . . . 64.55 110.748 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.67 -34.98 79.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 111.792 178.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.64 HG12 ' HZ2' ' A' ' 50' ' ' LYS . 60.2 t -62.94 -43.23 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.944 0.402 . . . . 61.45 110.975 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -67.37 -41.89 84.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.063 0.459 . . . . 74.13 110.92 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.09 68.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.194 -0.457 . . . . 73.54 111.283 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 tp -79.22 -37.08 38.98 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.279 -0.419 . . . . 64.23 111.359 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.64 ' HZ2' HG12 ' A' ' 46' ' ' VAL . 61.9 mttp -60.89 -21.07 62.95 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -84.35 26.99 0.72 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.01 0.433 . . . . 71.12 111.812 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -123.96 145.5 48.12 Favored Pre-proline 0 N--CA 1.47 0.533 0 C-N-CA 122.396 0.278 . . . . 75.25 111.022 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.37 -16.85 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.93 1.754 . . . . 75.51 111.221 171.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 5.2 m-20 -98.36 12.66 34.17 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.342 -0.844 . . . . 63.43 111.385 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.97 -78.8 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.922 0.712 . . . . 51.25 112.922 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -63.19 -23.42 67.42 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.872 0.323 . . . . 45.05 111.872 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.2 t -64.37 -50.84 66.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.112 0.482 . . . . 63.42 111.294 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HD2' ' HG3' ' A' ' 88' ' ' GLU . 33.9 mmtp -71.37 -32.71 68.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 74.13 110.996 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.482 HG23 HG23 ' A' ' 63' ' ' VAL . 90.1 mt -63.92 -41.35 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.025 0.441 . . . . 64.25 110.958 173.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.38 -119.95 18.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.277 -0.487 . . . . 73.02 112.471 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 37.8 Cg_endo -66.36 -46.88 3.64 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.181 1.92 . . . . 73.53 112.02 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.48 154.22 10.74 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 115.951 -0.568 . . . . 73.22 112.697 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.482 HG23 HG23 ' A' ' 59' ' ' ILE . 58.6 t -84.65 126.26 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 122.591 -0.358 . . . . 64.52 111.238 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD3' HG22 ' A' ' 83' ' ' THR . 27.6 tpt180 -93.8 -49.61 5.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.03 0.443 . . . . 73.5 110.422 178.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -164.65 -174.56 3.46 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.964 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.85 150.12 50.46 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.142 -0.481 . . . . 70.03 110.502 175.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -123.56 142.05 51.4 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.868 0.366 . . . . 75.11 111.195 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.509 HG13 HD12 ' A' ' 28' ' ' LEU . 75.2 t -101.83 101.25 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.103 0.477 . . . . 74.5 110.719 175.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 15.3 ttm180 -126.12 146.55 49.89 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.94 0.4 . . . . 75.24 111.507 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 57.7 p -76.77 129.42 36.27 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.331 -0.395 . . . . 61.33 110.597 174.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.36 -71.23 0.75 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.487 0.551 . . . . 55.42 112.487 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' HB2' ' OG1' ' A' ' 75' ' ' THR . 3.5 m-20 -81.78 -166.36 1.19 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.022 0.439 . . . . 44.43 111.256 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -60.06 85.93 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.894 0.378 . . . . 72.52 111.93 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.02 32.3 69.57 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 116.344 -0.389 . . . . 73.3 113.911 176.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 72' ' ' ASP . 69.7 p -129.43 143.6 50.91 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 122.31 -0.523 . . . . 71.21 111.736 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.8 mt-30 -98.98 164.34 12.22 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.969 0.414 . . . . 63.42 111.522 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.521 ' SG ' ' NH2' ' A' ' 89' ' ' ARG . 91.3 m -148.25 152.51 37.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.424 -0.353 . . . . 72.2 111.063 175.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -85.55 113.8 22.08 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.896 0.379 . . . . 72.42 110.573 175.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.494 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 77.6 m95 -91.42 126.74 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 70.53 111.885 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 39.9 mt -82.75 103.84 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.966 -0.561 . . . . 73.45 111.057 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.14 100.64 12.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.044 0.449 . . . . 74.42 111.273 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.07 151.91 41.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.859 174.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.469 HG22 ' HD3' ' A' ' 64' ' ' ARG . 71.6 p -57.2 -33.18 67.23 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.633 0.73 . . . . 55.42 109.88 171.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 17.6 t70 -56.04 -30.25 61.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.764 -1.107 . . . . 71.31 112.334 173.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.91 -36.44 4.01 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.265 -0.493 . . . . 64.04 113.118 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -62.06 143.67 56.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.938 0.348 . . . . 75.02 111.938 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -119.05 158.42 25.86 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.149 0.5 . . . . 62.44 111.935 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' HG3' ' HD2' ' A' ' 58' ' ' LYS . 0.7 OUTLIER -146.23 139.24 25.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.285 -0.416 . . . . 74.3 110.102 178.399 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.521 ' NH2' ' SG ' ' A' ' 77' ' ' CYS . 11.5 ptm180 -106.0 103.82 13.4 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.997 -0.44 . . . . 74.53 112.063 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -91.04 130.6 36.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 75.25 111.605 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -82.01 102.29 10.87 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.15 0.5 . . . . 71.41 111.503 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.518 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 12.5 p90 -55.46 -29.52 58.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.795 -0.639 . . . . 71.21 112.648 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -81.95 -28.2 32.86 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.271 0.471 . . . . 64.13 112.271 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.3 -10.81 60.37 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.959 0.409 . . . . 65.04 111.281 174.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 58.7 m -82.93 61.03 5.74 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.033 0.444 . . . . 70.14 110.93 -176.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.63 HG22 ' HE2' ' A' ' 17' ' ' LYS . 39.1 t -129.16 -87.19 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.204 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 33.0 mt -165.52 158.87 16.18 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.237 1.015 . . . . 72.32 109.147 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -88.7 113.71 24.56 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.095 -0.378 . . . . 71.44 110.633 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -54.3 134.47 45.13 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.945 0.402 . . . . 75.02 112.024 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -53.69 143.35 20.69 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.165 -0.47 . . . . 72.23 112.132 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -87.4 142.33 27.95 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.779 0.659 . . . . 72.45 112.779 -171.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -85.97 19.7 2.5 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.967 -0.561 . . . . 73.11 111.48 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -84.09 97.7 9.47 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.904 0.383 . . . . 73.13 111.324 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.692 -0.671 . . . . 71.14 110.965 177.12 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.567 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.387 0.137 . . . . 72.25 111.226 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.65 82.74 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.503 0.557 . . . . 72.31 112.503 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -128.47 158.08 39.34 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.16 0.505 . . . . 72.32 111.747 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.26 120.01 20.94 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.254 -0.43 . . . . 72.11 110.984 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -140.99 161.49 53.43 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.515 -0.311 . . . . 72.33 111.238 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -49.28 131.85 27.67 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.893 2.395 . . . . 73.14 113.962 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.0 mp -76.11 108.3 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.523 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.0 OUTLIER -90.68 121.96 33.04 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.931 0.396 . . . . 55.15 111.284 -178.063 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -133.07 116.59 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.471 -0.331 . . . . 64.33 111.152 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.8 27.86 17.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.715 0.635 . . . . 71.11 112.715 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.48 0.5 61.01 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.41 -0.424 . . . . 45.12 113.47 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -114.46 111.5 21.51 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.669 -0.313 . . . . 71.23 110.904 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -91.58 136.08 33.39 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.215 0.531 . . . . 70.54 111.184 179.45 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.669 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 72.5 m-85 -116.72 118.17 31.81 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.162 -0.472 . . . . 72.2 111.042 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.92 -27.07 40.45 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.224 0.824 . . . . 75.31 113.224 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -139.17 154.32 48.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.862 0.363 . . . . 71.02 111.407 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 96' ' ' VAL . 41.4 tptt -49.78 -48.14 50.71 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.029 -0.532 . . . . 74.31 112.114 -178.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.96 67.59 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.92 0.711 . . . . 73.51 112.92 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 25.1 t0 -64.19 -37.34 87.11 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.139 0.495 . . . . 63.31 110.969 -177.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.63 98.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.208 0.528 . . . . 42.14 111.019 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.31 -39.22 93.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.798 -0.637 . . . . 73.31 110.715 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.74 98.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.058 -0.519 . . . . 62.03 111.268 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.0 -52.06 65.54 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.297 -0.41 . . . . 75.24 111.089 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.801 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 75.0 mtm -56.29 -24.34 42.45 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.588 0.588 . . . . 72.22 112.588 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -70.9 -48.58 52.88 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.999 -0.438 . . . . 75.03 110.987 170.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.48 -55.59 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 120.951 0.405 . . . . 72.02 111.331 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.801 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 11.7 ptm -58.79 -36.26 74.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.136 -0.484 . . . . 74.34 111.244 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.23 -39.91 82.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.852 0.358 . . . . 64.31 111.665 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.57 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -78.68 -16.4 57.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.151 0.5 . . . . 52.11 110.926 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.62 -38.45 86.98 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.018 -0.537 . . . . 63.25 111.419 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -93.71 161.67 14.24 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.296 0.569 . . . . 72.1 111.8 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 6.2 mpt_? -100.15 163.57 18.04 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 109.323 -0.621 . . . . 71.32 109.323 174.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 39.7 Cg_endo -64.96 20.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.548 1.223 0 C-N-CA 122.611 2.208 . . . . 70.32 114.894 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.96 10.43 2.57 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 121.273 -0.489 . . . . 35.0 113.373 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -96.57 161.95 13.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.563 0.697 . . . . 70.12 112.479 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -104.35 132.3 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.652 -0.704 . . . . 75.54 110.32 175.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.442 HG11 HD12 ' A' ' 45' ' ' LEU . 61.6 t -60.14 121.25 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.857 0.361 . . . . 74.43 111.103 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.0 m -62.16 173.27 1.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.213 0.53 . . . . 65.42 112.367 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.1 m -55.95 -55.7 29.55 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.193 0.812 . . . . 62.25 113.193 -173.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.91 -60.14 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.97 0.414 . . . . 71.42 111.749 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.168 -0.469 . . . . 53.12 111.413 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -63.99 -46.34 91.65 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 121.339 -0.458 . . . . 71.11 112.743 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.71 64.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.108 0.48 . . . . 63.55 111.232 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.44 -51.11 68.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.66 -0.7 . . . . 72.23 110.808 175.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 HD12 HG11 ' A' ' 37' ' ' VAL . 96.4 mt -59.52 -34.03 72.11 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.103 -0.499 . . . . 75.13 111.99 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 42' ' ' GLY . 91.4 t -57.89 -51.94 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.845 0.355 . . . . 65.01 110.932 176.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -66.28 -38.34 87.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.877 0.37 . . . . 74.22 110.943 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -57.57 -39.53 76.95 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.254 0.549 . . . . 70.13 110.887 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.4 tp -69.04 -55.79 9.74 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.088 -0.505 . . . . 70.01 110.925 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -50.75 -36.6 37.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 2.0 ptm180 -71.38 1.75 5.85 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.036 0.446 . . . . 70.34 112.146 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -94.04 133.83 26.94 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 122.462 0.305 . . . . 64.21 110.482 172.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.62 -12.1 26.73 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.904 2.403 . . . . 63.31 113.914 -175.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -122.08 26.87 8.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.168 0.508 . . . . 65.12 111.988 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -73.51 -51.87 15.53 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.474 -0.33 . . . . 44.11 111.219 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 t -45.07 -45.78 11.19 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.024 0.749 . . . . 74.53 113.024 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.4 t -57.62 -36.13 71.38 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.933 0.397 . . . . 65.22 111.931 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -100.91 5.62 43.36 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.173 0.434 . . . . 75.33 112.173 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' ALA . 69.8 mt -88.55 -46.06 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.79 0.328 . . . . 70.15 110.287 171.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.96 -117.82 10.58 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 114.889 0.716 . . . . 54.2 114.889 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.4 -4.11 14.89 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.086 2.524 . . . . 62.42 113.891 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.07 168.89 12.85 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 120.734 -0.746 . . . . 62.03 113.513 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.564 HG22 HH22 ' A' ' 82' ' ' ARG . 62.8 t -87.81 117.8 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.102 0.408 . . . . 73.3 112.102 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.667 HH11 ' ND2' ' A' ' 65' ' ' ASN . 2.1 tmt_? -79.53 -61.13 2.1 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 109.15 -0.685 . . . . 63.31 109.15 173.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.667 ' ND2' HH11 ' A' ' 64' ' ' ARG . 42.5 p30 -169.98 -173.44 1.56 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.02 0.438 . . . . 70.1 111.221 170.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -119.61 130.83 55.3 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.397 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -106.51 144.75 32.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.063 0.459 . . . . 51.43 111.846 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.52 96.63 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.07 -0.514 . . . . 72.15 109.862 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -104.98 158.1 16.77 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.954 0.407 . . . . 55.1 111.993 -173.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.4 m -56.71 147.89 21.66 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.966 0.728 . . . . 32.21 112.966 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.18 140.75 29.52 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.008 -0.542 . . . . 63.44 111.43 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.53 -10.7 47.58 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.443 0.534 . . . . 72.41 112.443 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -80.0 10.72 3.97 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.274 0.472 . . . . 74.44 112.274 -175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.14 -35.51 3.42 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.065 -0.588 . . . . 71.2 112.481 -176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.3 p -91.48 -162.87 0.96 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.56 0.344 . . . . 54.22 110.642 175.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -114.03 -171.8 1.97 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 122.212 -0.305 . . . . 75.41 110.764 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.7 t -138.62 146.4 41.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.739 0.304 . . . . 34.32 111.491 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -84.47 129.53 34.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.842 0.353 . . . . 71.41 111.058 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -114.35 136.03 53.44 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.445 0.64 . . . . 72.41 111.973 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.7 mt -86.53 104.03 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.216 -0.902 . . . . 73.44 111.314 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.84 128.72 35.05 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.033 0.444 . . . . 64.03 111.032 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.564 HH22 HG22 ' A' ' 63' ' ' VAL . 5.9 mmp_? -102.93 144.31 31.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.252 -0.431 . . . . 74.14 110.756 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 p -55.96 -33.89 65.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.175 0.512 . . . . 74.01 111.206 177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.25 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.761 -0.654 . . . . 70.22 111.935 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.23 -31.59 1.16 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.097 -0.573 . . . . 74.42 113.127 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.1 m -75.45 112.28 11.61 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.565 -0.374 . . . . 61.21 111.403 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.9 153.85 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.244 0.545 . . . . 63.25 111.745 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -138.11 159.25 42.54 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.857 -0.611 . . . . 65.15 110.516 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -115.35 156.47 25.45 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.087 -0.383 . . . . 73.21 111.388 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.09 122.63 15.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 75.45 111.446 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.8 m -73.66 95.82 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.303 -0.408 . . . . 65.34 110.736 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -55.75 -27.73 52.26 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.66 0.615 . . . . 73.31 112.66 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -23.15 61.23 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 111.857 0.317 . . . . 74.34 111.857 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 94' ' ' LYS . 62.0 mmtt -88.37 62.51 6.68 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.417 0.627 . . . . 73.34 111.247 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.5 t -143.18 12.61 1.8 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.59 -0.732 . . . . 64.44 110.989 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.813 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 59.6 t -82.19 -89.98 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 111.994 0.368 . . . . 53.41 111.994 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.6 mt -150.22 152.91 35.33 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.0 0.429 . . . . 63.11 111.546 -176.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.59 82.8 1.71 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.868 -0.605 . . . . 71.13 109.784 172.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -99.65 128.3 45.76 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.02 -0.536 . . . . 73.2 111.565 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -77.9 42.82 0.4 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.374 0.607 . . . . 65.42 112.588 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -166.53 101.6 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.167 -0.679 . . . . 72.33 109.167 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -77.83 165.91 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.179 0.807 . . . . 73.32 113.179 -171.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -91.41 179.05 5.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.42 -0.809 . . . . 71.23 110.237 174.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.4 m80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.815 -0.612 . . . . 62.4 111.363 176.548 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo . . . . . 0 CA--C 1.54 0.784 0 CA-C-O 121.158 0.399 . . . . 75.11 112.683 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.2 mp -74.03 103.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.288 -0.415 . . . . 53.01 111.037 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -91.23 123.37 34.62 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.018 0.437 . . . . 72.02 111.625 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.75 113.03 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.004 -0.544 . . . . 70.22 110.354 173.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.01 28.63 18.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.965 0.412 . . . . 41.14 111.823 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.36 40.61 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.403 -0.427 . . . . 74.14 113.17 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -75.09 117.35 16.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.539 -0.389 . . . . 74.3 110.614 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.04 104.63 16.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.308 0.575 . . . . 72.32 111.614 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.01 136.23 33.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.329 -0.396 . . . . 61.24 111.101 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.25 5.71 13.89 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.695 0.628 . . . . 71.05 112.695 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 19.6 tpp180 -163.61 150.18 11.93 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 122.245 -0.284 . . . . 62.54 111.375 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.09 -45.55 90.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.9 0.381 . . . . 74.45 110.839 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.77 65.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.877 0.37 . . . . 65.42 111.828 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 37.9 t0 -69.06 -42.32 76.4 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.184 0.516 . . . . 61.41 110.538 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.84 96.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.15 -0.477 . . . . 50.33 111.363 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.91 -41.61 99.5 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.219 -0.446 . . . . 63.51 111.354 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -53.89 -51.6 63.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.233 -0.44 . . . . 71.14 111.607 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.77 -48.71 63.64 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.035 0.445 . . . . 71.42 111.536 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.95 -40.48 95.07 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.388 -0.369 . . . . 72.11 111.814 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -64.81 -37.65 88.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.706 0.288 . . . . 72.34 111.568 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 22' ' ' ALA . 96.4 t -57.61 -58.9 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.655 0.264 . . . . 53.13 111.681 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.645 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.1 ptt? -62.99 -40.64 98.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.957 -0.297 . . . . 75.31 111.083 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.41 -50.22 62.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.055 0.455 . . . . 70.0 111.45 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.6 -18.8 65.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.161 -0.472 . . . . 75.41 111.832 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -85.48 -7.87 58.66 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.056 0.391 . . . . 75.0 112.056 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -108.55 162.88 13.72 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.972 0.415 . . . . 75.23 111.236 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 80.6 mtm180 -105.74 163.47 17.01 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.476 -0.329 . . . . 62.24 110.33 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 49.7 Cg_endo -66.22 19.24 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 122.724 2.283 . . . . 73.21 115.134 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.97 12.09 1.08 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.043 -0.599 . . . . 55.1 113.324 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.521 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -104.87 147.63 27.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.252 0.549 . . . . 60.54 112.017 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -85.93 135.76 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.885 -0.598 . . . . 75.22 111.232 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 141.62 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.294 -0.412 . . . . 73.53 111.463 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -59.89 153.48 20.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.824 0.345 . . . . 61.15 111.872 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.7 m -58.99 -37.47 76.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.794 0.331 . . . . 73.03 111.656 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.44 -52.53 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.045 0.45 . . . . 60.41 111.404 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.645 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 31.0 m-20 -65.88 -40.41 91.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.127 0.489 . . . . 54.0 110.809 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -57.55 -42.13 93.88 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 116.028 -0.533 . . . . 71.14 112.7 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -34.92 72.36 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.074 0.464 . . . . 74.35 111.413 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.29 -46.93 69.01 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.043 -0.526 . . . . 71.13 110.509 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.21 -40.56 81.95 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.622 -0.717 . . . . 74.14 111.998 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 42' ' ' GLY . 91.0 t -54.77 -53.42 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 120.811 0.339 . . . . 72.41 111.327 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -67.64 -35.85 79.66 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 120.879 0.371 . . . . 72.34 111.183 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.98 71.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.265 0.555 . . . . 74.34 110.997 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 tp -75.96 -53.13 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.092 -0.504 . . . . 71.51 110.824 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -53.71 -25.13 17.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.193 0.812 . . . . 70.51 113.193 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -78.45 13.92 1.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.184 0.439 . . . . 71.31 112.184 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -114.19 140.7 25.31 Favored Pre-proline 0 N--CA 1.47 0.537 0 C-N-CA 122.507 0.323 . . . . 71.11 110.795 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -23.28 68.14 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.509 2.139 . . . . 72.45 113.006 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 14.9 m-20 -81.38 3.15 25.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.206 0.447 . . . . 74.22 112.206 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.69 -57.45 2.3 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.999 0.741 . . . . 62.23 112.999 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.5 t -55.22 -40.69 71.11 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.239 0.459 . . . . 75.52 112.239 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 m -69.55 -40.45 76.81 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.808 0.337 . . . . 55.13 111.486 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 29.0 mmmt -71.3 -46.92 59.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.094 0.473 . . . . 74.14 111.377 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.91 -50.51 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.76 -0.654 . . . . 63.34 112.705 -174.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.96 -116.83 4.93 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.843 -0.694 . . . . 74.24 112.621 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.43 -21.53 6.27 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.507 2.138 . . . . 73.14 113.02 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.64 153.31 6.34 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.092 -0.575 . . . . 75.33 113.169 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.28 124.42 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 120.932 0.396 . . . . 74.22 111.089 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -91.61 -48.15 7.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.717 0.294 . . . . 62.21 110.697 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -167.66 175.66 6.88 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.904 0.383 . . . . 72.11 111.285 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.19 135.12 55.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.154 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -120.54 137.32 54.45 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.816 0.341 . . . . 50.24 111.058 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.38 114.81 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.662 0.268 . . . . 74.0 110.454 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -135.83 159.24 42.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.69 0.281 . . . . 73.41 110.48 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 121.096 0.474 . . . . 70.44 112.084 -176.591 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 120.677 0.275 . . . . 74.42 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.3 m -147.91 158.21 43.92 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.748 0.309 . . . . 74.02 111.236 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.81 125.15 35.21 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.178 0.513 . . . . 75.14 111.579 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -103.02 132.4 49.31 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.147 0.498 . . . . 64.41 111.557 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.5 mt -88.81 109.35 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.9 -0.591 . . . . 70.43 111.388 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -88.51 114.12 24.8 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.851 0.358 . . . . 72.43 110.26 175.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -79.32 154.6 28.96 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.225 0.536 . . . . 73.14 112.014 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.7 p -66.03 -19.38 65.83 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.125 -0.489 . . . . 63.13 112.171 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.18 -5.13 53.51 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 120.772 0.32 . . . . 72.21 111.815 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.16 4.3 56.51 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.373 -0.441 . . . . 64.25 113.576 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 m -95.75 -178.74 4.48 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.416 -0.461 . . . . 41.34 111.477 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.66 161.67 37.94 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.213 0.53 . . . . 73.03 111.937 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.79 169.09 21.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.94 -0.573 . . . . 75.35 110.663 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -133.3 142.67 48.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.628 0.252 . . . . 70.43 110.954 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -136.65 137.64 40.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.199 0.523 . . . . 72.51 111.38 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.1 m -83.63 95.03 8.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.191 -0.458 . . . . 52.23 111.26 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -51.31 -28.24 11.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.72 0.637 . . . . 71.41 112.72 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 112.66 0.615 . . . . 75.3 112.66 -178.375 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo . . . . . 0 CA--C 1.544 0.981 0 N-CA-C 113.426 0.51 . . . . 52.23 113.426 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.9 mp -94.87 103.1 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 116.396 -0.366 . . . . 62.24 110.64 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 119.09 34.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.895 0.379 . . . . 63.13 111.352 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -123.24 109.83 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 120.729 0.299 . . . . 73.1 111.351 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.63 48.5 20.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.391 0.515 . . . . 73.22 112.391 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -2.97 81.6 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.204 -0.522 . . . . 73.13 113.77 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.78 106.96 18.41 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.138 -0.625 . . . . 75.24 110.866 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.08 109.05 17.95 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.131 -0.486 . . . . 63.24 111.992 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -103.06 103.03 13.08 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.979 0.419 . . . . 64.34 110.39 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 5.65 8.28 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.34 0.496 . . . . 72.41 112.34 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -153.87 141.78 20.18 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.741 0.305 . . . . 74.54 111.12 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -57.36 -36.27 70.98 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.591 0.589 . . . . 74.34 112.591 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.51 -32.81 71.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.862 0.319 . . . . 63.13 111.862 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.92 -41.64 95.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.039 0.447 . . . . 64.42 111.324 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.56 76.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.976 0.417 . . . . 53.42 111.385 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 93' ' ' LYS . 55.5 mt -67.63 -34.44 76.97 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.117 -0.492 . . . . 65.55 111.42 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.61 -47.07 87.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.367 -0.379 . . . . 72.43 111.285 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -62.1 -54.99 33.52 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.373 -0.376 . . . . 60.54 110.8 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.474 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 66.1 mtt -49.3 -37.97 25.95 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.858 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.21 -51.27 66.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.697 0.284 . . . . 74.12 111.21 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 22' ' ' ALA . 58.9 t -59.69 -46.96 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 112.074 0.398 . . . . 52.35 112.074 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.5 ptm -65.95 -40.71 91.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.798 0.332 . . . . 74.14 111.508 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 76' ' ' GLN . 55.4 tp -64.67 -43.77 92.5 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.081 0.467 . . . . 42.43 111.374 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.523 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -72.27 -0.23 11.64 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.32 0.489 . . . . 54.11 112.32 -178.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.6 -22.72 21.09 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.151 0.5 . . . . 73.25 111.07 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.606 ' HB2' HG21 ' A' ' 68' ' ' VAL . 80.7 m-85 -110.22 140.8 43.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.285 -0.416 . . . . 72.23 110.517 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.536 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 56.2 mtm180 -94.6 164.57 19.45 Favored Pre-proline 0 N--CA 1.468 0.468 0 CA-C-N 116.532 -0.304 . . . . 72.15 111.457 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 19.2 Cg_endo -59.01 77.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.641 2.227 . . . . 64.34 112.649 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 -5.15 0.62 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 114.813 -1.085 . . . . 71.54 113.424 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.92 145.24 25.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.223 0.535 . . . . 74.41 111.952 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.401 HD12 HD22 ' A' ' 65' ' ' ASN . 50.1 mm -88.06 129.58 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.922 -0.581 . . . . 71.1 110.096 172.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 60.9 t -61.3 132.41 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.454 -0.339 . . . . 74.53 111.609 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -60.93 169.23 2.02 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.661 0.615 . . . . 53.33 112.661 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.3 m -57.91 -57.79 11.23 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.621 0.6 . . . . 75.5 112.621 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.81 -48.36 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 121.006 0.432 . . . . 63.44 111.83 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.97 -39.0 90.64 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.008 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.06 -48.99 79.49 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 116.137 -0.483 . . . . 51.13 112.599 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.38 -37.16 64.68 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.956 0.408 . . . . 72.35 111.472 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.47 -49.53 76.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.044 -0.526 . . . . 70.11 110.595 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.11 -38.12 78.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.737 -0.665 . . . . 74.42 111.927 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 42' ' ' GLY . 66.4 t -58.73 -46.06 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.726 0.298 . . . . 52.15 111.164 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 16.2 mm-40 -62.77 -52.48 63.05 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.863 0.363 . . . . 73.52 111.008 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.35 61.61 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.096 0.474 . . . . 64.24 111.609 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.9 tp -74.07 -48.2 31.47 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.899 -0.591 . . . . 65.33 111.151 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -66.78 -7.83 24.09 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.603 0.594 . . . . 71.21 112.603 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 75.1 mtp85 -80.26 -5.1 55.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.965 0.412 . . . . 75.23 111.345 174.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -95.65 138.23 21.82 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.496 -0.32 . . . . 75.15 110.957 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.08 -23.44 60.74 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.274 1.983 . . . . 61.41 111.945 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 57' ' ' SER . 3.4 m-20 -84.75 25.98 0.87 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.063 0.545 . . . . 63.23 111.326 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.92 -64.33 0.85 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.957 0.725 . . . . 71.41 112.957 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -55.51 -31.89 62.43 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 112.308 0.484 . . . . 72.03 112.308 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 54' ' ' ASP . 24.0 t -56.08 -33.67 65.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.006 0.432 . . . . 71.51 111.792 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HB3' HD12 ' A' ' 80' ' ' ILE . 44.7 mmtm -102.76 -33.43 9.39 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.405 -0.361 . . . . 74.51 111.942 -177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 63' ' ' VAL . 66.2 mt -81.75 -48.01 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 112.274 0.472 . . . . 71.23 112.274 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.65 -129.4 19.19 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 120.863 -0.684 . . . . 52.34 111.888 -171.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.27 -41.66 2.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.432 2.088 . . . . 74.13 112.756 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.82 158.53 27.58 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.988 -0.625 . . . . 51.14 113.31 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 59' ' ' ILE . 68.8 t -94.92 126.83 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 122.55 -0.383 . . . . 55.21 111.242 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -59.01 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.835 0.35 . . . . 61.41 110.285 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.401 HD22 HD12 ' A' ' 36' ' ' ILE . 4.1 p-10 -153.08 152.25 31.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.142 0.496 . . . . 53.51 111.979 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 91.5 m-85 -99.04 143.93 28.76 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.261 -0.427 . . . . 64.21 111.041 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.14 143.99 48.81 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.002 0.429 . . . . 74.24 110.985 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.9 t -101.61 113.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 73.13 110.829 175.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 14.5 ttm180 -131.55 150.17 52.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.32 -0.4 . . . . 71.33 111.038 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.835 0.35 . . . . 61.2 111.87 -177.191 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.493 ' HB2' HD21 ' A' ' 28' ' ' LEU . 16.8 mt-30 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.084 0.468 . . . . 62.53 111.85 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.94 143.16 29.34 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.458 -0.337 . . . . 74.34 111.294 176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.975 0.417 . . . . 71.15 111.535 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 60.6 m95 -102.79 135.87 43.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.151 0.501 . . . . 75.12 110.936 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' A' ' 58' ' ' LYS . 53.5 mt -98.34 110.0 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 111.98 0.363 . . . . 63.4 111.98 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.43 100.51 11.91 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.639 0.733 . . . . 44.02 109.531 170.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -76.73 153.92 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.074 -0.967 . . . . 75.22 112.401 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -61.33 -21.35 63.92 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.798 0.809 . . . . 73.44 110.136 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.11 -26.83 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.737 -1.12 . . . . 72.54 111.522 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.74 -15.66 40.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.491 -0.385 . . . . 74.4 113.112 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.0 p -97.63 162.93 13.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.223 0.535 . . . . 73.42 112.241 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 81' ' ' LEU . 6.3 pt-20 -117.0 143.02 46.21 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.928 -0.578 . . . . 60.33 111.532 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -157.69 141.55 15.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.797 0.332 . . . . 73.34 111.157 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.48 159.99 14.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.046 0.45 . . . . 53.2 112.172 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -135.62 145.06 46.47 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.115 0.483 . . . . 75.33 111.299 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 63.1 p -79.85 95.67 6.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.219 0.533 . . . . 52.52 111.841 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -64.61 -27.68 69.1 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.217 -0.302 . . . . 74.31 111.765 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 21.6 ptmt . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.894 0.378 . . . . 73.05 111.79 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo . . . . . 0 CA--C 1.541 0.833 0 CA-C-O 121.082 0.368 . . . . 73.14 112.292 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.546 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -87.14 75.06 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 121.49 0.662 . . . . 71.4 110.467 177.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 51' ' ' ARG . 2.2 tm-20 -93.03 111.43 23.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.108 -0.496 . . . . 55.42 110.415 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -124.05 115.83 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 111.987 0.366 . . . . 64.12 111.987 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.23 28.2 14.76 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.595 0.591 . . . . 54.42 112.595 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.15 -20.57 44.74 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 121.451 -0.404 . . . . 75.13 112.646 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -85.07 103.83 14.43 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.95 0.405 . . . . 71.15 110.0 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 10.8 pt-20 -93.09 122.6 35.62 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.501 0.556 . . . . 72.2 112.501 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.527 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 56.8 m-85 -122.46 130.56 53.19 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.274 -0.421 . . . . 73.42 110.482 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.91 -8.25 57.43 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 122.143 -0.348 . . . . 74.44 111.897 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -143.51 145.95 32.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.903 0.382 . . . . 72.41 111.542 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HE3' HD21 ' A' ' 21' ' ' LEU . 46.0 tptt -58.66 -42.11 87.66 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.519 0.562 . . . . 73.23 112.519 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.68 -32.88 44.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.199 0.523 . . . . 73.42 111.391 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.91 -47.31 62.99 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.866 -0.606 . . . . 70.32 111.787 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 7' ' ' ILE . . . -55.83 -39.6 71.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.293 0.568 . . . . 34.21 110.618 174.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD21 ' HE3' ' A' ' 17' ' ' LYS . 93.7 mt -64.03 -45.88 86.92 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.731 -0.668 . . . . 52.13 111.057 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.94 77.51 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.03 0.382 . . . . 71.52 112.03 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.96 -56.49 21.37 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.013 0.435 . . . . 74.54 111.053 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.7 mtm -67.2 -22.2 65.74 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.281 -0.418 . . . . 74.25 111.719 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.15 -56.29 9.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.961 0.41 . . . . 72.22 111.032 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 -55.27 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.333 -0.394 . . . . 74.01 112.035 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.42 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.2 ptt? -64.34 -33.7 76.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.965 0.358 . . . . 74.05 111.965 -176.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HG ' ' HB2' ' A' ' 76' ' ' GLN . 51.6 tp -59.71 -49.97 75.67 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.117 0.484 . . . . 54.22 110.922 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -71.59 -16.18 62.29 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.949 -0.568 . . . . 64.11 112.081 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -67.85 -41.12 83.43 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.117 0.484 . . . . 75.4 111.07 174.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.407 ' HB2' HG21 ' A' ' 68' ' ' VAL . 93.5 m-85 -90.51 157.98 17.26 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.459 0.647 . . . . 74.13 111.727 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.8 mtt85 -106.52 161.01 24.23 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 115.836 -0.62 . . . . 74.3 110.588 -177.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 35.4 Cg_exo -57.14 76.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.616 2.211 . . . . 72.54 112.578 176.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 157.0 -26.99 0.51 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-N 114.974 -1.012 . . . . 70.12 112.923 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.31 137.22 55.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.271 0.557 . . . . 74.34 112.243 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.7 140.18 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.906 -0.588 . . . . 71.22 110.344 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.54 144.05 15.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 120.668 0.27 . . . . 70.22 111.322 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -65.07 165.57 10.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.346 0.594 . . . . 71.11 112.408 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 m -60.81 -27.79 68.3 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.929 -0.578 . . . . 74.45 111.337 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.73 -59.78 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.191 -0.459 . . . . 62.1 111.339 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 39.6 m-20 -63.04 -32.57 73.97 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.014 0.435 . . . . 75.13 111.23 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -57.7 -47.79 86.15 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.202 -0.454 . . . . 75.53 112.556 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.69 -35.48 74.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.139 0.495 . . . . 55.5 111.249 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.38 -47.41 85.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.905 -0.589 . . . . 74.04 110.397 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.68 -38.55 90.8 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.88 -0.6 . . . . 72.31 111.87 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG12 ' HE3' ' A' ' 50' ' ' LYS . 57.5 t -58.98 -48.51 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.856 0.36 . . . . 73.11 110.979 178.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.93 -40.89 94.96 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.996 0.427 . . . . 74.44 111.35 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.04 -26.23 68.17 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.956 0.408 . . . . 21.54 111.562 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.14 -43.79 32.74 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.333 -0.394 . . . . 74.13 111.491 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.575 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.7 mttt -55.3 -18.83 7.03 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.102 0.778 . . . . 63.31 113.102 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 8' ' ' GLU . 94.6 mtt180 -87.88 17.32 4.95 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.346 0.498 . . . . 71.1 112.346 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -111.6 136.53 21.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.473 -0.33 . . . . 74.14 110.413 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -26.01 81.3 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.645 1.564 . . . . 72.21 110.593 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -19.4 59.02 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.411 -1.268 . . . . 71.23 111.997 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -51.35 -50.4 59.54 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.599 0.592 . . . . 74.21 112.599 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -48.04 -37.02 13.99 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 111.99 0.367 . . . . 61.01 111.99 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.4 t -74.43 -50.95 16.38 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.883 0.373 . . . . 73.11 110.95 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.615 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 22.6 mtmm -80.76 18.35 1.0 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.811 0.671 . . . . 63.21 112.811 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HA ' HH11 ' A' ' 82' ' ' ARG . 80.9 mt -111.58 -47.72 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.372 -0.603 . . . . 63.03 109.372 164.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.88 -117.29 5.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.828 -0.624 . . . . 71.54 113.908 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.32 -19.0 15.57 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.802 2.334 . . . . 41.32 113.586 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.79 173.32 20.75 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.622 -0.799 . . . . 64.31 114.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG13 ' NH2' ' A' ' 82' ' ' ARG . 92.1 t -90.92 125.08 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.828 0.347 . . . . 72.54 111.689 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG2' ' ND2' ' A' ' 65' ' ' ASN . 78.4 ttt180 -91.11 -67.17 0.87 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.871 0.367 . . . . 73.21 110.424 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.454 ' ND2' ' HG2' ' A' ' 64' ' ' ARG . 9.7 p30 -168.55 -174.24 2.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.168 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -129.27 141.85 51.0 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.205 -0.452 . . . . 65.51 110.371 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -127.19 146.84 50.26 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.051 0.453 . . . . 65.3 111.914 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 33' ' ' PRO . 86.9 t -101.22 119.26 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.989 0.423 . . . . 73.43 112.017 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 62.4 mtt180 -131.4 160.07 36.14 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.281 -0.418 . . . . 65.53 110.703 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 120.908 0.385 . . . . 70.34 111.352 179.208 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.429 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt-30 . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 120.771 0.319 . . . . 70.41 111.077 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.9 m -149.07 149.24 30.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.867 0.365 . . . . 72.2 111.411 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -87.89 118.41 27.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.262 -0.426 . . . . 65.53 111.039 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.446 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 42.2 m95 -93.55 127.05 39.03 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.25 0.548 . . . . 71.42 111.781 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.1 mt -89.76 106.4 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.669 -0.696 . . . . 64.44 111.728 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -90.88 128.14 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.007 0.432 . . . . 74.12 110.807 176.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.615 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 3.0 mmp_? -103.12 152.21 21.67 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.288 -0.257 . . . . 74.41 111.314 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.3 p -59.26 -28.09 66.4 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 121.34 0.59 . . . . 71.11 110.716 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -55.31 -35.02 64.68 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.463 -0.789 . . . . 74.22 111.823 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.53 -29.47 6.93 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.345 -0.455 . . . . 75.34 112.456 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.4 m -63.87 149.55 46.81 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.057 0.391 . . . . 72.31 112.057 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.38 166.97 18.48 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.177 0.513 . . . . 72.24 111.638 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.533 ' HG2' ' HD3' ' A' ' 58' ' ' LYS . 9.2 tp10 -167.39 167.58 13.76 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.728 -0.669 . . . . 74.03 110.148 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 6.6 ptm180 -129.1 152.54 48.58 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 122.057 -0.402 . . . . 72.11 111.235 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -136.96 136.48 38.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.105 0.478 . . . . 64.51 111.493 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 m -86.06 96.03 9.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.373 -0.376 . . . . 70.21 111.811 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -55.24 -29.06 57.3 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.076 0.465 . . . . 74.44 111.807 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 115.83 -0.623 . . . . 74.54 112.268 179.07 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo . . . . . 0 CA--C 1.543 0.946 0 CA-C-O 120.94 0.308 . . . . 64.22 112.824 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.2 mp -84.47 113.08 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 120.702 0.287 . . . . 64.2 111.746 -174.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -106.53 116.78 32.52 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.665 0.269 . . . . 50.52 110.585 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.2 mt -133.4 110.78 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.707 0.289 . . . . 74.11 111.623 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.88 34.48 24.87 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.835 0.68 . . . . 72.32 112.835 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.46 -0.55 77.84 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.18 -0.533 . . . . 51.13 113.074 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -101.98 112.63 25.34 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 122.684 -0.304 . . . . 75.13 110.435 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.57 124.86 41.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.01 0.433 . . . . 73.33 111.336 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -116.19 118.28 32.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.807 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 4.6 7.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.565 0.58 . . . . 72.23 112.565 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.6 ptt180 -164.15 152.08 12.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.021 0.438 . . . . 64.33 111.257 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -60.53 -40.95 93.36 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.206 0.447 . . . . 74.33 112.206 -177.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.05 75.13 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.877 0.325 . . . . 72.42 111.877 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 37.3 t0 -61.01 -43.83 98.32 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.207 0.527 . . . . 71.44 110.934 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.81 86.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.154 -0.476 . . . . 61.43 111.624 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.4 -36.46 84.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.388 -0.369 . . . . 72.55 111.629 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.38 63.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.792 0.33 . . . . 64.12 111.033 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -50.09 -45.88 53.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.129 0.49 . . . . 74.12 111.413 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -70.75 -40.69 72.55 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.846 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -61.37 -44.6 96.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.725 0.298 . . . . 73.15 111.678 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.74 -56.12 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 111.707 0.262 . . . . 74.24 111.707 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -62.8 -28.03 69.71 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.886 0.374 . . . . 75.2 111.02 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.65 -44.36 96.46 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.385 -0.37 . . . . 44.21 111.258 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -75.65 -22.85 56.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.706 0.288 . . . . 72.33 111.572 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -46.45 76.7 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.912 0.387 . . . . 71.23 110.304 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.01 129.8 34.89 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.108 0.48 . . . . 74.2 110.581 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 79.2 mtp180 -66.22 146.35 99.02 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.088 -0.505 . . . . 71.35 111.957 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 25.3 Cg_exo -65.01 25.02 0.08 OUTLIER 'Trans proline' 0 CA--C 1.55 1.299 0 C-N-CA 123.453 2.769 . . . . 44.23 114.8 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.59 9.99 0.93 Allowed Glycine 0 CA--C 1.528 0.857 0 C-N-CA 121.373 -0.441 . . . . 73.25 112.838 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.15 172.97 6.62 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.439 0.533 . . . . 72.54 112.439 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -95.57 147.54 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.82 -0.627 . . . . 74.14 111.545 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -83.17 145.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.471 -0.331 . . . . 64.03 111.321 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 m -67.01 163.82 19.07 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.061 0.458 . . . . 72.11 111.972 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.8 m -59.29 -52.61 64.92 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.765 0.654 . . . . 73.42 112.765 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.16 -50.09 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 120.926 0.393 . . . . 63.43 111.824 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.01 -37.39 76.78 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.062 0.458 . . . . 74.32 110.937 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.04 -43.44 90.78 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.146 -0.479 . . . . 70.14 112.91 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.02 66.3 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.126 0.489 . . . . 71.41 110.991 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.74 -50.69 72.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.807 -0.633 . . . . 72.54 110.487 174.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.8 -38.95 76.42 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.752 -0.658 . . . . 75.02 111.646 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' HE2' ' A' ' 50' ' ' LYS . 97.6 t -58.59 -48.14 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.682 0.277 . . . . 71.45 111.345 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -64.53 -45.12 88.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.992 0.425 . . . . 62.1 111.146 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.07 68.25 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.091 0.472 . . . . 61.32 111.123 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 tp -74.38 -44.21 53.11 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.016 -0.538 . . . . 73.35 111.103 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HE2' HG12 ' A' ' 46' ' ' VAL . 64.9 mttm -52.99 -36.57 60.53 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.231 0.826 . . . . 64.14 113.231 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -77.52 14.01 1.11 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.2 0.445 . . . . 61.11 112.2 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -109.76 129.42 23.94 Favored Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 122.724 0.41 . . . . 71.32 110.083 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.79 -22.22 67.06 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.165 1.91 . . . . 72.02 112.434 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.72 -11.19 59.86 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.048 -0.524 . . . . 60.11 111.868 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.61 -51.17 22.16 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.802 0.667 . . . . 70.44 112.802 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -51.71 -35.43 42.9 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.996 0.739 . . . . 74.45 112.996 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -76.7 -30.28 56.64 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.738 0.304 . . . . 71.12 111.69 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -83.76 -29.37 27.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.998 0.428 . . . . 72.23 111.496 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.464 HG23 HG23 ' A' ' 63' ' ' VAL . 78.0 mt -78.74 -43.15 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.279 -0.419 . . . . 74.21 111.386 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.05 -130.93 49.9 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.987 -0.625 . . . . 64.43 112.411 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -75.3 -16.4 19.59 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.625 2.217 . . . . 71.01 113.469 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.95 150.87 6.18 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 34.42 113.86 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG23 HG23 ' A' ' 59' ' ' ILE . 70.4 t -89.23 121.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 122.702 0.401 . . . . 72.31 111.174 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HG3' HD22 ' A' ' 65' ' ' ASN . 32.3 tpt180 -77.64 -58.91 3.01 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.734 0.302 . . . . 75.52 111.114 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.508 HD22 ' HG3' ' A' ' 64' ' ' ARG . 10.1 p30 -166.39 -177.16 3.92 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.705 0.288 . . . . 72.44 111.023 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.28 133.65 55.42 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.845 0.355 . . . . 74.14 111.558 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -120.33 144.89 47.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.466 -0.334 . . . . 51.15 110.658 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.43 138.18 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.039 0.447 . . . . 64.32 112.071 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 63.9 mtt180 -142.46 -177.6 5.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.928 0.491 . . . . 52.54 110.522 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 86.7 p . . . . . 0 N--CA 1.469 0.509 0 CA-C-N 116.499 -0.319 . . . . 73.15 110.302 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 44.8 mt-30 . . . . . 0 CA--C 1.539 0.553 0 CA-C-O 120.708 0.29 . . . . 72.03 110.541 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 52.4 t -157.51 152.37 25.53 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.918 0.39 . . . . 72.43 111.864 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.56 123.87 39.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.06 -0.518 . . . . 71.4 111.043 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 55.1 m95 -103.34 134.44 46.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.045 0.45 . . . . 73.12 111.264 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.7 mt -95.01 115.49 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.412 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -84.95 112.04 20.23 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.812 0.339 . . . . 75.13 110.605 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -83.81 146.93 27.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.764 0.316 . . . . 74.42 111.602 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.1 p -64.93 -16.6 63.5 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.864 0.364 . . . . 71.02 111.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.83 -27.83 65.47 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.307 -0.406 . . . . 72.31 111.532 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.17 22.15 7.33 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 116.223 -0.444 . . . . 70.22 112.982 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.6 p -135.24 -179.43 5.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.758 0.314 . . . . 71.44 111.346 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HB3' HD13 ' A' ' 81' ' ' LEU . 5.2 pt-20 -142.57 150.14 39.98 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.618 0.599 . . . . 44.15 112.618 -175.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.36 146.8 15.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.154 -0.475 . . . . 62.24 111.14 171.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.447 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 28.4 ptt-85 -94.46 170.21 9.65 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.232 0.539 . . . . 71.34 112.165 -175.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -139.47 145.32 38.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.016 0.436 . . . . 71.35 111.064 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.3 m -83.59 85.67 7.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.896 0.379 . . . . 61.41 111.863 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -57.81 -26.61 62.21 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.978 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.7 pttt . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 120.915 0.388 . . . . 71.2 111.651 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 38.5 Cg_exo . . . . . 0 CA--C 1.541 0.863 0 CA-C-O 120.844 0.268 . . . . 64.42 112.446 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.8 mp -77.01 95.73 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.898 0.38 . . . . 62.31 111.024 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 37.4 tt0 -103.19 118.87 37.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.116 0.484 . . . . 75.35 111.166 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.8 mt -126.1 125.2 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.286 -0.415 . . . . 61.04 111.255 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.18 32.91 22.45 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.071 0.397 . . . . 65.54 112.071 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.41 -10.05 62.67 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.961 -0.638 . . . . 54.11 113.376 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -91.53 108.89 20.21 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.13 -0.322 . . . . 73.25 110.13 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -87.34 135.27 33.39 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.257 0.551 . . . . 71.03 112.322 -176.229 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.409 ' HE2' ' HE1' ' A' ' 44' ' ' PHE . 64.3 m-85 -126.77 119.3 26.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.984 -0.553 . . . . 75.21 110.414 174.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -60.09 -24.07 64.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.969 0.414 . . . . 61.42 112.01 -178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -144.98 144.34 30.99 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.322 -0.399 . . . . 74.21 111.207 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.7 -35.5 70.71 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.799 0.296 . . . . 73.34 111.799 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.97 -47.52 74.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 72.33 111.421 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.67 -36.69 79.37 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.274 -0.421 . . . . 74.14 111.02 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.73 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.122 -0.49 . . . . 62.44 111.66 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.672 0.272 . . . . 74.23 111.07 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.56 -46.82 86.07 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.967 0.413 . . . . 73.01 110.852 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.72 -48.8 78.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.014 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -56.87 -49.37 75.7 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.135 -0.484 . . . . 70.53 111.251 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.55 -51.21 70.81 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.057 -0.519 . . . . 73.34 112.003 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' ALA . 96.7 t -56.94 -59.24 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 111.81 0.3 . . . . 74.21 111.81 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -58.93 -30.94 68.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.706 0.289 . . . . 63.54 111.263 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.75 -47.78 71.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.064 0.459 . . . . 65.4 111.436 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -64.5 -20.17 66.04 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.608 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 28.7 mmt180 -68.79 -23.25 64.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.902 0.382 . . . . 60.24 110.94 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -93.56 168.71 10.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.183 0.516 . . . . 74.42 110.772 173.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.63 165.12 14.31 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.157 -0.474 . . . . 74.34 109.952 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -67.35 35.36 0.15 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 122.722 2.282 . . . . 60.41 114.381 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.39 31.84 0.13 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 121.046 -0.597 . . . . 71.54 113.622 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.08 172.26 7.04 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.47 0.653 . . . . 71.34 112.425 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -99.88 139.52 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.647 -0.706 . . . . 73.14 110.88 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.4 145.38 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.822 0.344 . . . . 71.43 111.808 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -79.97 -176.72 5.64 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.842 0.682 . . . . 61.32 112.842 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.1 m -59.69 -68.25 0.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.923 0.712 . . . . 74.22 112.923 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.54 -44.61 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.213 0.53 . . . . 71.42 111.305 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 m-20 -56.7 -45.91 81.55 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.578 -0.737 . . . . 73.24 111.078 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -68.38 -42.91 80.81 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 116.261 -0.427 . . . . 40.01 113.02 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.52 87.73 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.128 0.49 . . . . 64.11 110.869 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' HE1' ' HE2' ' A' ' 14' ' ' PHE . 84.1 t80 -55.84 -44.99 78.52 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.741 -0.663 . . . . 74.24 111.043 175.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 94.1 mt -61.23 -43.35 99.01 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.117 -0.492 . . . . 73.24 111.798 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 42' ' ' GLY . 62.3 t -58.2 -46.9 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.194 0.521 . . . . 71.14 111.109 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.93 -34.47 77.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.14 -0.482 . . . . 75.43 111.439 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.22 61.37 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.881 0.372 . . . . 64.54 111.462 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.81 -48.24 15.15 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.29 -0.414 . . . . 71.03 111.687 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.56 -26.28 54.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.94 0.718 . . . . 73.55 112.94 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -81.21 20.14 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.047 0.451 . . . . 75.44 112.072 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -114.49 140.23 24.94 Favored Pre-proline 0 N--CA 1.471 0.582 0 N-CA-C 109.907 -0.405 . . . . 64.13 109.907 170.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.09 -27.13 83.89 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 121.982 1.788 . . . . 35.32 111.943 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 2.3 m-20 -73.62 -15.9 61.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.638 -0.71 . . . . 64.5 111.69 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.6 62.25 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.72 0.637 . . . . 51.44 112.72 -174.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 t -49.77 -40.11 40.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.904 0.383 . . . . 54.1 111.748 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -82.72 -33.98 27.39 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.004 0.43 . . . . 71.22 111.633 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 51.9 mttm -83.98 -6.76 59.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.57 0.581 . . . . 52.05 112.57 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.5 mt -110.11 -57.3 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.99 0.424 . . . . 73.41 110.881 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.36 -116.4 9.11 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 116.22 -0.445 . . . . 72.5 113.475 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.71 -20.82 15.16 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.718 2.279 . . . . 63.04 113.232 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.61 173.84 23.21 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.852 -0.69 . . . . 54.35 113.453 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 57.3 t -114.69 121.25 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 73.0 111.148 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -73.75 -52.68 12.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.727 0.299 . . . . 61.33 110.322 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -171.92 -177.4 1.92 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.227 0.536 . . . . 71.0 111.418 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -120.1 143.74 47.99 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.038 -0.528 . . . . 65.21 110.508 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.03 141.69 51.97 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.904 0.383 . . . . 73.22 111.398 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -101.13 120.79 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.919 0.39 . . . . 72.31 111.737 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -133.37 165.16 25.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.851 0.358 . . . . 75.2 111.027 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 109.051 -0.722 . . . . 74.42 109.051 169.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 120.897 0.379 . . . . 63.42 111.563 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 90.6 m -152.68 161.85 42.03 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.397 -0.365 . . . . 52.43 110.847 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -90.56 131.47 36.26 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.115 0.483 . . . . 65.22 111.792 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -101.98 130.97 48.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.047 -0.524 . . . . 70.21 110.858 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.91 107.86 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.575 0.226 . . . . 75.33 111.451 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.1 mm? -96.51 107.04 19.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.776 0.322 . . . . 63.44 110.454 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.534 ' NH1' ' HA ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -83.74 157.57 22.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.709 0.29 . . . . 65.55 111.573 -178.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.9 p -59.51 -28.78 67.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.369 0.604 . . . . 75.34 110.764 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -58.99 -26.37 64.45 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.552 -0.749 . . . . 73.32 111.596 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.38 -32.53 6.92 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 116.384 -0.371 . . . . 75.22 112.495 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -59.32 142.64 51.57 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.218 0.451 . . . . 70.54 112.218 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.422 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -114.7 157.29 23.36 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.765 178.191 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -154.81 115.84 3.99 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.186 0.517 . . . . 73.22 112.201 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -68.36 125.62 27.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.973 -0.558 . . . . 72.13 110.152 168.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -120.05 125.24 47.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.474 0.654 . . . . 75.53 111.096 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -72.59 88.45 1.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 45.12 111.68 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -55.92 -31.97 63.36 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.485 0.66 . . . . 73.44 110.342 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.5 pttt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 115.293 -0.867 . . . . 73.41 112.383 177.498 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 12.6 Cg_exo . . . . . 0 CA--C 1.539 0.753 0 CA-C-O 121.079 0.366 . . . . 65.04 112.424 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.3 mp -71.36 88.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.039 0.447 . . . . 75.11 110.059 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.36 130.47 35.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.967 0.413 . . . . 53.14 111.295 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mt -138.0 113.66 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.357 -0.383 . . . . 65.34 110.727 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.94 25.56 15.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.922 0.392 . . . . 71.43 111.909 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.45 -11.09 69.0 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.323 -0.465 . . . . 55.1 113.164 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -83.27 117.83 23.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.413 -0.463 . . . . 74.21 110.486 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -91.9 121.85 33.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.339 0.59 . . . . 54.14 112.136 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.418 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 85.6 m-85 -115.36 110.31 19.18 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.965 0.412 . . . . 74.43 110.855 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.83 -3.81 10.74 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.687 0.625 . . . . 73.21 112.687 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -152.85 139.32 18.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.405 0.282 . . . . 54.13 110.584 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -43.49 90.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.858 0.361 . . . . 65.22 111.544 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.63 65.69 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.931 0.345 . . . . 54.23 111.931 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.51 -44.24 78.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.106 0.479 . . . . 65.44 110.014 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.74 -46.28 90.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.884 -0.598 . . . . 64.03 111.735 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.25 -43.78 98.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.51 -0.314 . . . . 74.42 111.027 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.97 -47.8 83.84 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.294 -0.412 . . . . 64.32 111.176 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.8 -53.72 55.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.3 -0.409 . . . . 73.12 111.419 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.2 mtm -62.16 -36.16 81.0 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.466 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -62.6 -49.41 75.33 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.841 0.353 . . . . 73.23 110.344 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' ALA . 79.1 t -57.12 -57.01 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.389 -0.368 . . . . 73.45 111.455 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -57.41 -39.63 76.58 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.792 0.329 . . . . 64.3 110.92 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.41 -41.78 81.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.225 0.536 . . . . 64.43 111.215 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.568 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -79.75 9.53 5.06 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.993 -0.549 . . . . 72.23 112.289 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 26' ' ' VAL . 2.3 mpt_? -103.59 -6.89 21.24 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.953 0.406 . . . . 71.52 111.019 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' HB2' HG21 ' A' ' 68' ' ' VAL . 84.9 m-85 -107.33 156.44 18.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 75.43 110.102 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.544 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -83.21 155.69 66.77 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 109.861 -0.422 . . . . 75.14 109.861 176.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 68' ' ' VAL . 55.9 Cg_endo -67.56 26.71 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.275 0 C-N-CA 122.838 2.359 . . . . 61.41 114.763 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.3 32.48 0.2 Allowed Glycine 0 CA--C 1.528 0.852 0 C-N-CA 120.991 -0.623 . . . . 73.42 113.498 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 6.5 m-20 -122.26 172.22 8.45 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.438 0.637 . . . . 75.13 112.666 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.536 HD13 ' HG2' ' A' ' 67' ' ' GLU . 42.0 mm -74.49 139.32 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.374 -0.83 . . . . 63.42 112.364 -176.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -82.8 150.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.172 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 p -68.17 171.65 6.76 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.289 0.566 . . . . 61.24 112.324 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.3 m -64.22 -48.29 76.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.058 -0.519 . . . . 75.32 111.536 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.33 -52.7 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.175 -0.466 . . . . 64.43 111.438 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.46 -40.72 68.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.941 0.4 . . . . 63.14 111.11 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -59.12 -53.7 44.16 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.352 -0.452 . . . . 73.5 112.836 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.79 73.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.139 0.495 . . . . 62.52 111.277 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -58.66 -51.56 69.4 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.789 -0.641 . . . . 70.21 110.684 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.47 -35.18 73.59 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.992 -0.549 . . . . 73.42 112.136 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 50' ' ' LYS . 88.1 t -57.27 -51.78 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 120.885 0.374 . . . . 70.1 111.454 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -62.43 -41.29 98.61 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.782 0.325 . . . . 71.22 111.435 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -34.72 76.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.084 0.469 . . . . 61.42 111.233 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 tp -67.98 -39.02 83.38 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.992 -0.549 . . . . 64.34 111.537 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.2 mttt -59.0 -14.57 9.75 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.053 0.76 . . . . 73.31 113.053 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -90.05 13.9 13.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.29 0.567 . . . . 73.52 111.099 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -102.95 136.84 19.18 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.008 -0.542 . . . . 71.24 111.521 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.87 -22.04 49.57 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.057 1.838 . . . . 70.1 111.427 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.08 -1.98 58.03 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.639 -0.709 . . . . 74.54 112.123 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.2 -45.11 79.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.228 0.455 . . . . 75.4 112.228 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -56.98 -25.0 57.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.925 0.393 . . . . 73.01 111.838 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -89.85 -35.31 15.72 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.667 0.387 . . . . 63.05 111.436 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -72.78 -31.6 64.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.992 0.425 . . . . 43.11 111.722 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 63' ' ' VAL . 72.2 mt -80.22 -44.05 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 116.334 -0.394 . . . . 63.41 111.233 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.23 -113.84 5.83 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 121.409 -0.424 . . . . 61.51 113.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.29 -20.35 8.5 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.568 2.178 . . . . 65.32 113.128 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.52 150.36 5.37 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.32 -0.467 . . . . 43.14 113.148 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 59' ' ' ILE . 58.8 t -87.71 115.12 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.041 0.448 . . . . 72.51 111.382 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -81.95 -55.96 4.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.925 0.393 . . . . 74.04 111.074 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -162.3 -175.79 4.75 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.935 0.397 . . . . 72.24 111.198 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.461 ' CE2' HG12 ' A' ' 80' ' ' ILE . 79.6 m-85 -127.67 144.55 51.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.499 -0.319 . . . . 54.2 111.059 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HG2' HD13 ' A' ' 36' ' ' ILE . 44.0 mt-10 -129.93 151.85 50.04 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.034 0.445 . . . . 72.53 111.144 175.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 31' ' ' TYR . 58.4 t -89.93 147.1 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.084 0.469 . . . . 65.15 111.596 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 3.5 tpm_? -141.45 163.58 32.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.368 -0.378 . . . . 75.12 110.46 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 57.6 p . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 120.649 0.262 . . . . 71.11 111.001 175.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.747 0.308 . . . . 65.43 111.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 69' ' ' ARG . 28.0 p -149.5 157.25 43.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.888 0.375 . . . . 73.44 111.527 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.93 133.94 43.57 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.28 -0.418 . . . . 74.44 111.377 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -115.38 138.76 50.65 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.192 0.52 . . . . 75.12 111.802 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.461 HG12 ' CE2' ' A' ' 66' ' ' PHE . 48.1 mt -90.16 113.87 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.749 -0.659 . . . . 75.23 111.499 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.9 mm? -87.14 103.48 15.45 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.14 0.495 . . . . 72.14 110.584 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -79.91 148.37 31.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.858 -0.61 . . . . 64.44 111.697 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -58.65 -21.13 53.22 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.385 0.612 . . . . 73.03 110.852 175.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -52.65 -43.95 65.81 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.441 -0.799 . . . . 71.42 111.91 171.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.59 6.92 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.914 -0.66 . . . . 52.1 113.288 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.6 m -104.72 136.03 44.99 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.388 0.613 . . . . 50.1 112.078 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.56 ' HB3' HD13 ' A' ' 81' ' ' LEU . 9.1 pt-20 -83.85 155.17 23.08 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.843 -0.617 . . . . 63.3 111.934 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -155.08 140.89 18.14 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.035 -0.53 . . . . 74.25 110.624 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -96.45 169.32 9.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.704 0.764 . . . . 74.3 112.755 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -142.96 132.01 23.04 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.679 -0.691 . . . . 63.34 110.557 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 p -70.65 97.5 1.35 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.116 0.484 . . . . 40.1 111.203 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.65 -38.13 88.49 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.326 0.491 . . . . 72.31 112.326 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 112.558 0.577 . . . . 74.53 112.558 -174.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo . . . . . 0 CA--C 1.543 0.944 0 CA-C-O 121.119 0.383 . . . . 72.15 113.055 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -80.03 102.76 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 120.975 0.417 . . . . 54.34 111.216 -177.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -91.92 114.37 26.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.029 0.442 . . . . 64.11 111.065 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -126.89 110.43 23.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.463 -0.335 . . . . 71.24 111.319 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.07 33.22 22.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.003 0.43 . . . . 70.52 111.958 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 -22.41 39.59 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.49 -0.386 . . . . 72.14 112.972 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -78.66 104.68 9.43 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.734 0.302 . . . . 55.53 110.762 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -88.66 111.16 21.6 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.347 -0.388 . . . . 55.34 111.889 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.425 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 83.6 m-85 -94.38 123.84 38.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.41 -0.359 . . . . 74.55 111.15 177.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.251 0.463 . . . . 74.55 112.251 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HG2' ' OD2' ' A' ' 19' ' ' ASP . 19.6 ptp180 -130.06 165.68 21.73 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.879 0.371 . . . . 74.52 110.954 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -63.34 -38.47 91.29 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.354 0.597 . . . . 73.05 110.849 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.22 62.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.474 -0.784 . . . . 65.31 112.232 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' OD2' ' HG2' ' A' ' 16' ' ' ARG . 33.5 m-20 -62.17 -48.06 81.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.934 0.397 . . . . 54.4 111.286 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.45 84.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.281 -0.418 . . . . 71.13 111.734 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 93' ' ' LYS . 56.1 mt -64.13 -46.98 81.74 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.95 0.405 . . . . 75.41 111.607 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.0 -52.1 66.42 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.89 0.376 . . . . 74.44 111.511 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 27' ' ' MET . 88.9 t80 -53.2 -61.36 2.35 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.98 -0.554 . . . . 73.23 111.592 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.12 -31.39 68.89 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.612 0.597 . . . . 74.23 112.612 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -68.83 -47.56 65.71 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.87 -0.519 . . . . 72.13 111.225 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.7 t -53.31 -58.28 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 120.67 0.271 . . . . 63.22 111.443 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 11.9 ptm -57.06 -41.09 78.09 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.376 -0.374 . . . . 71.21 111.538 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 68' ' ' VAL . 53.7 tp -58.14 -41.14 83.05 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.019 0.438 . . . . 72.11 111.616 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -67.44 -21.35 65.56 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.333 -0.394 . . . . 70.11 111.997 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -76.55 -11.77 59.92 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.082 0.468 . . . . 75.3 110.982 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' HB2' HG21 ' A' ' 68' ' ' VAL . 90.7 m-85 -105.13 162.01 13.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.165 -0.47 . . . . 75.03 109.845 170.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.479 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 33.8 mtp180 -106.81 159.77 28.71 Favored Pre-proline 0 CA--C 1.538 0.508 0 O-C-N 122.123 -0.36 . . . . 71.44 110.843 176.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -65.06 26.0 0.08 OUTLIER 'Trans proline' 0 CA--C 1.552 1.396 0 C-N-CA 122.979 2.453 . . . . 61.3 114.469 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -156.03 33.41 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 112.15 -0.38 . . . . 61.34 112.15 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 m-20 -136.03 162.55 32.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.03 0.443 . . . . 72.3 111.759 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.27 144.89 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 121.155 0.502 . . . . 75.34 111.677 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.11 141.83 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.236 -0.438 . . . . 74.04 111.194 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -55.31 144.41 25.08 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.948 0.404 . . . . 74.32 111.852 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -58.97 -38.67 79.63 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.218 0.451 . . . . 64.23 112.218 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.65 -55.55 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 121.085 0.469 . . . . 65.1 111.128 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.89 -34.68 68.13 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.123 -0.489 . . . . 64.12 111.109 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -60.35 -46.09 94.96 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-N 116.171 -0.468 . . . . 71.35 112.751 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.77 -40.2 72.28 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.093 0.473 . . . . 71.54 111.095 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -59.82 -50.33 74.22 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.857 -0.61 . . . . 71.44 110.761 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.41 -35.9 74.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.854 -0.612 . . . . 71.42 112.016 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' HE3' ' A' ' 50' ' ' LYS . 89.4 t -57.82 -48.61 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 120.804 0.335 . . . . 74.45 111.034 176.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 50.1 mm-40 -67.61 -38.94 84.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.973 0.416 . . . . 70.33 110.76 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -32.27 70.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.151 0.501 . . . . 71.51 111.131 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD22 HD13 ' A' ' 80' ' ' ILE . 51.2 tp -73.39 -41.14 63.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.062 -0.517 . . . . 70.24 110.995 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HE3' HG12 ' A' ' 46' ' ' VAL . 98.6 mttt -60.09 -25.21 65.24 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.085 0.469 . . . . 62.43 111.562 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.3 mmp_? -62.33 -14.78 43.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.555 175.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -101.19 144.29 28.28 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 122.742 0.417 . . . . 75.22 111.238 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.05 -16.76 40.79 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.26 1.973 . . . . 61.2 111.732 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.53 -9.43 59.33 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.783 -0.644 . . . . 64.02 111.635 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.96 20.79 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.068 0.766 . . . . 51.34 113.068 -173.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -51.52 -35.58 41.11 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.951 0.405 . . . . 70.31 112.082 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -81.68 -41.34 21.5 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.987 0.423 . . . . 70.15 111.387 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -75.53 -20.77 58.48 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.347 0.499 . . . . 64.3 112.347 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.6 -55.46 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.925 0.393 . . . . 73.45 111.144 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.37 -115.48 7.96 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.242 -0.504 . . . . 70.2 113.291 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 56.9 Cg_endo -69.61 -23.34 31.58 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.657 2.238 . . . . 62.4 113.045 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.03 167.5 12.26 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.98 -0.628 . . . . 54.43 113.213 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.54 118.74 48.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.016 0.436 . . . . 60.23 111.225 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -86.03 -46.95 10.02 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.894 0.378 . . . . 72.24 111.184 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -170.55 176.42 4.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.074 0.464 . . . . 72.25 111.141 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.75 132.22 55.57 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.374 -0.376 . . . . 71.31 110.687 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -121.63 139.03 54.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.416 -0.356 . . . . 72.24 110.382 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 28' ' ' LEU . 68.6 t -87.97 134.8 27.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.835 0.35 . . . . 75.21 111.599 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 12.5 ttm-85 -141.91 -175.2 4.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.481 -0.327 . . . . 73.24 110.223 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.265 0.555 . . . . 63.3 112.29 -176.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 120.925 0.393 . . . . 71.0 112.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 20.6 m -153.53 154.06 33.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.063 -0.517 . . . . 72.21 111.121 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -82.43 119.75 24.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.463 -0.335 . . . . 74.45 111.189 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.441 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 42.5 m95 -101.61 127.27 48.41 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.559 0.695 . . . . 74.21 111.649 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 33.8 mt -83.89 103.56 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.468 -0.787 . . . . 63.35 111.896 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -80.02 104.79 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 75.43 110.122 173.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -81.89 151.38 27.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 71.14 111.764 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.0 p -59.5 -17.85 35.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.011 0.434 . . . . 70.04 111.732 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.55 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 5.2 t70 -54.4 -39.71 67.52 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.023 -0.535 . . . . 72.33 111.284 171.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.64 -34.25 3.07 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 115.749 -0.66 . . . . 41.31 112.218 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.4 t -88.64 167.55 13.27 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.458 0.647 . . . . 75.23 112.146 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HB3' HD13 ' A' ' 81' ' ' LEU . 10.8 pt-20 -104.77 177.35 4.87 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.841 -0.618 . . . . 70.22 112.03 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 14.6 tp10 -158.29 168.11 27.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.596 -0.729 . . . . 75.02 109.403 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -140.15 152.43 46.06 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.639 -0.663 . . . . 75.02 112.029 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -138.53 110.78 7.38 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.318 0.58 . . . . 61.13 110.176 171.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -76.78 74.85 3.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.218 0.532 . . . . 65.11 111.419 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -52.12 -31.18 29.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.691 -0.686 . . . . 73.1 112.545 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HA ' HD22 ' A' ' 21' ' ' LEU . 47.5 pttt . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 113.065 0.765 . . . . 71.22 113.065 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 CA--C 1.539 0.742 0 CA-C-O 120.966 0.319 . . . . 70.2 112.566 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -72.96 94.02 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.262 0.553 . . . . 63.03 110.326 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -87.91 110.46 20.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.254 0.55 . . . . 51.41 111.972 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt -124.56 120.3 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.86 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 47' ' ' GLU . . . 56.52 34.67 24.75 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.968 0.413 . . . . 62.43 111.966 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.74 -26.23 17.38 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 121.214 -0.517 . . . . 54.52 113.209 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -75.88 115.66 15.8 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.78 -0.247 . . . . 63.41 111.32 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -94.07 106.47 18.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.003 0.43 . . . . 51.13 111.121 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.71 139.47 30.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.861 0.362 . . . . 73.13 111.897 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.99 74.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.974 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -158.26 172.39 18.46 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.416 -0.357 . . . . 71.24 110.698 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HE2' HD21 ' A' ' 21' ' ' LEU . 22.3 tptm -57.25 -41.61 79.95 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.281 -0.262 . . . . 55.43 111.209 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.1 76.1 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.977 0.418 . . . . 60.32 111.662 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.27 -38.86 88.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.239 0.542 . . . . 63.14 110.314 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.53 83.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.018 -0.537 . . . . 72.4 111.071 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 93' ' ' LYS . 84.0 mt -64.08 -32.03 73.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.358 -0.383 . . . . 72.31 110.882 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.94 -22.98 66.07 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.338 -0.392 . . . . 64.42 111.712 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 27' ' ' MET . 66.3 t80 -91.68 -56.87 2.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.113 0.482 . . . . 63.35 110.304 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.7 mtm -59.78 -46.01 90.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.971 0.73 . . . . 74.24 112.971 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.48 -42.09 98.58 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.025 -0.422 . . . . 52.02 111.462 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.08 -38.28 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 121.025 -0.27 . . . . 74.53 111.324 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 23' ' ' PHE . 47.7 mtm -60.02 -49.08 79.06 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.093 0.473 . . . . 71.22 109.77 173.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -52.95 -48.66 67.19 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.769 -0.65 . . . . 73.51 111.08 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -71.36 -24.96 62.18 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.917 -0.583 . . . . 74.4 111.797 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.39 -34.35 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.056 0.455 . . . . 73.12 110.714 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -97.97 156.62 16.54 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.995 0.426 . . . . 71.43 110.365 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 75.9 mtm180 -84.75 163.61 45.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 122.118 -0.364 . . . . 71.22 110.553 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -65.93 31.49 0.11 Allowed 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 122.954 2.436 . . . . 53.14 114.634 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.34 34.23 0.23 Allowed Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.087 -0.577 . . . . 53.34 113.462 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 15.2 m-20 -125.75 161.08 28.13 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.347 0.594 . . . . 72.55 112.278 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.2 148.7 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.834 -0.621 . . . . 73.31 111.563 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -84.15 145.53 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 116.173 -0.467 . . . . 63.0 111.112 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.9 p -71.91 176.56 4.9 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.228 0.537 . . . . 60.14 112.308 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -61.2 -53.95 50.47 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.014 -0.539 . . . . 75.43 111.899 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.11 -55.37 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 116.269 -0.423 . . . . 64.23 111.561 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -44.56 66.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.042 0.449 . . . . 73.24 111.05 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.479 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.51 -49.91 69.33 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.179 -0.464 . . . . 74.22 113.28 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.55 -37.62 73.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.112 0.482 . . . . 72.25 111.146 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -59.99 -48.75 80.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.796 -0.638 . . . . 73.23 110.553 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.64 -37.79 79.63 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.05 -0.523 . . . . 33.05 111.81 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 42' ' ' GLY . 95.7 t -56.78 -47.51 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.942 0.401 . . . . 74.5 110.934 175.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 48.9 mm-40 -64.22 -48.63 75.09 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.429 -0.351 . . . . 72.31 111.495 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.97 64.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.302 0.572 . . . . 52.31 110.902 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' HG ' ' HB1' ' A' ' 55' ' ' ALA . 55.6 tp -64.67 -56.53 13.22 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.712 -0.676 . . . . 54.22 110.685 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.65 -21.24 38.7 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.475 0.917 . . . . 74.23 113.475 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.0 mmp_? -58.68 -17.08 19.52 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.947 0.403 . . . . 73.14 111.372 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -97.29 142.1 24.03 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 116.367 -0.379 . . . . 73.13 111.328 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.38 -34.76 65.02 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.575 2.183 . . . . 74.14 113.263 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.38 3.71 45.95 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.317 0.488 . . . . 71.14 112.317 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB1' ' HG ' ' A' ' 49' ' ' LEU . . . -59.51 -50.36 74.22 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.107 0.41 . . . . 72.13 112.107 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -46.9 -33.69 4.78 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.306 0.484 . . . . 62.12 112.306 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -60.58 -46.55 89.82 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.202 0.525 . . . . 72.05 111.419 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 33.6 mmtp -90.87 8.35 35.38 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.29 -0.413 . . . . 65.23 111.813 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 55' ' ' ALA . 79.3 mt -96.48 -55.71 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 120.808 0.337 . . . . 75.22 110.38 171.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.18 -127.67 27.32 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 116.049 -0.523 . . . . 61.5 113.794 176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HG2' ' OG1' ' A' ' 83' ' ' THR . 73.7 Cg_endo -71.64 -22.34 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.044 2.496 . . . . 74.22 113.676 -176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.51 175.33 28.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.665 -0.778 . . . . 73.1 113.708 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.573 HG22 HH22 ' A' ' 82' ' ' ARG . 94.6 t -97.24 114.31 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.984 0.421 . . . . 52.22 111.798 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -56.0 5.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 74.54 109.736 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -170.64 176.03 4.42 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.275 0.56 . . . . 73.24 111.451 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -119.34 149.45 41.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.809 -0.632 . . . . 72.2 109.765 170.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -136.29 134.66 38.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.001 0.429 . . . . 53.25 111.753 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -88.4 103.45 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.233 -0.44 . . . . 53.35 110.084 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 79.6 ttt180 -123.46 155.58 37.2 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.575 -0.284 . . . . 75.01 111.008 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 113.446 0.906 . . . . 64.34 113.446 -173.811 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.675 0.274 . . . . 72.14 110.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 99.6 m -146.13 144.43 29.97 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 111.969 0.359 . . . . 52.42 111.969 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -83.81 108.73 17.02 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.274 -0.421 . . . . 70.14 110.309 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.543 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 46.4 m95 -87.88 126.85 35.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.233 0.54 . . . . 75.24 112.247 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.541 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 60.1 mt -87.73 95.18 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.59 -0.732 . . . . 45.12 111.107 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.62 124.08 29.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.091 0.472 . . . . 63.11 111.078 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.573 HH22 HG22 ' A' ' 63' ' ' VAL . 5.7 mmp_? -93.76 147.21 23.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.385 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 61' ' ' PRO . 46.7 p -61.78 -21.8 64.88 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.45 -0.341 . . . . 55.41 111.691 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.44 -24.71 67.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.226 0.536 . . . . 73.54 111.41 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.43 -7.58 30.36 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 115.948 -0.569 . . . . 54.3 112.125 -171.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.8 t -83.28 176.03 9.45 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.622 0.369 . . . . 63.24 111.96 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.49 177.87 8.53 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.778 0.658 . . . . 72.42 112.778 -176.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 9.1 tp10 -169.68 155.46 5.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.586 -0.734 . . . . 70.02 110.466 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -133.08 112.53 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.034 0.445 . . . . 75.42 110.789 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.25 136.89 43.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.346 0.594 . . . . 74.43 111.796 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.2 p -78.01 88.16 4.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.917 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -48.4 -41.11 28.11 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.94 -0.573 . . . . 74.1 112.505 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' HA ' HD21 ' A' ' 21' ' ' LEU . 59.2 pttt . . . . . 0 CA--C 1.542 0.637 0 O-C-N 122.143 -0.348 . . . . 74.45 111.245 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo . . . . . 0 CA--C 1.541 0.838 0 CA-C-O 121.171 0.405 . . . . 74.45 112.785 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.5 mp -78.15 84.45 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.243 0.544 . . . . 74.03 110.677 -177.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -88.38 123.18 32.69 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.61 179.039 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 48' ' ' ALA . 68.0 mt -137.0 115.62 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 111.689 0.255 . . . . 74.21 111.689 178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.78 30.79 16.73 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.207 0.817 . . . . 74.11 113.207 173.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.04 23.08 46.53 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.887 -0.673 . . . . 42.45 112.057 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -128.08 95.93 4.32 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.924 0.392 . . . . 72.04 109.982 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 12.1 pt-20 -82.79 105.69 14.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.471 0.653 . . . . 73.25 111.749 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 77.1 m-85 -91.13 117.09 29.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.088 -0.505 . . . . 71.33 110.768 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 -0.47 4.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.113 0.783 . . . . 54.32 113.113 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -167.86 152.29 6.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.341 -0.224 . . . . 75.24 111.116 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 23.4 mmmt -51.79 -48.15 63.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 111.672 0.249 . . . . 62.4 111.672 175.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.71 70.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 120.769 0.319 . . . . 71.53 111.771 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.47 -41.69 90.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.211 0.529 . . . . 73.24 111.046 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.53 66.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.185 -0.461 . . . . 53.33 111.83 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 77.9 mt -61.95 -42.64 99.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.883 0.373 . . . . 70.21 111.515 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.387 -0.369 . . . . 75.41 111.489 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.57 -49.48 76.49 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.089 0.471 . . . . 65.45 110.634 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.8 mtt -58.9 -40.38 84.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.985 -0.552 . . . . 74.45 111.247 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -57.08 -48.71 77.91 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.444 -0.344 . . . . 72.21 111.251 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.2 t -56.58 -58.42 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 112.228 0.455 . . . . 73.31 112.228 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -63.47 -39.33 94.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.782 0.325 . . . . 72.44 111.331 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.25 -45.03 92.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.19 0.519 . . . . 75.14 111.374 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.554 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -74.11 -9.72 58.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.023 -0.535 . . . . 72.33 112.192 -177.141 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -67.11 -35.99 80.96 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.538 -0.541 . . . . 74.54 109.538 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.466 ' HB2' HG21 ' A' ' 68' ' ' VAL . 49.3 m-85 -93.85 154.75 17.56 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.011 -0.541 . . . . 74.04 111.454 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 34' ' ' GLY . 34.2 mtp180 -91.09 165.49 21.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.276 -0.42 . . . . 73.32 110.939 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.58 26.19 0.05 OUTLIER 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.102 2.534 . . . . 74.32 114.746 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -154.16 14.04 0.55 Allowed Glycine 0 CA--C 1.527 0.829 0 O-C-N 122.039 -0.413 . . . . 73.33 112.603 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 3.1 m-20 -94.64 160.66 14.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.511 0.672 . . . . 71.01 112.419 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mm -100.14 135.61 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.513 -0.767 . . . . 64.5 110.764 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 62.2 t -69.22 135.41 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 116.425 -0.352 . . . . 70.21 111.759 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -62.67 165.35 6.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.236 0.541 . . . . 61.45 112.185 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.7 m -59.85 -48.6 81.02 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.442 0.534 . . . . 74.21 112.442 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.45 -54.97 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.061 0.458 . . . . 74.25 111.458 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.37 -41.35 69.08 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.97 -0.559 . . . . 73.33 111.035 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.44 -44.41 98.06 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 116.044 -0.525 . . . . 65.21 112.545 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.13 69.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.052 0.453 . . . . 52.13 111.54 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.57 -48.07 76.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.269 0.557 . . . . 74.41 110.656 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.33 -37.07 79.47 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.864 -0.607 . . . . 61.0 111.867 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' GLY . 98.2 t -56.2 -51.68 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 120.709 0.29 . . . . 74.24 111.228 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.82 -45.88 92.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.042 0.449 . . . . 73.22 111.233 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' A' ' 9' ' ' ILE . . . -59.58 -29.93 68.3 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.093 -0.503 . . . . 43.31 111.775 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.94 -48.31 10.11 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.004 0.372 . . . . 75.52 112.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 46' ' ' VAL . 52.1 mtmt -57.86 -27.01 62.85 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.922 0.712 . . . . 63.54 112.922 -175.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -82.4 19.06 1.3 Allowed 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.2 0.524 . . . . 63.54 111.894 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -94.36 151.45 39.42 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 122.877 0.471 . . . . 75.31 111.227 172.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.25 -25.63 18.53 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.103 1.869 . . . . 71.5 111.151 168.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.85 -2.35 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.207 -0.906 . . . . 73.35 112.126 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.8 -45.61 40.51 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.314 0.857 . . . . 62.04 113.314 -173.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t -46.9 -50.12 19.25 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.77 0.655 . . . . 74.54 112.77 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -67.8 -30.42 69.84 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.211 0.529 . . . . 73.21 111.286 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -84.94 -7.12 59.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.009 -0.542 . . . . 72.21 111.771 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 75.4 mt -111.81 -60.34 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 112.064 0.394 . . . . 74.12 112.064 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.11 -113.36 5.7 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 114.304 0.481 . . . . 53.0 114.304 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 72.5 Cg_endo -75.38 -27.11 9.69 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.026 2.484 . . . . 63.14 114.52 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.43 176.19 21.65 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 120.43 -0.89 . . . . 44.31 113.889 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.809 HG22 HH12 ' A' ' 82' ' ' ARG . 29.4 t -90.99 117.78 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.246 0.462 . . . . 71.42 112.246 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 14.2 ttt180 -90.2 -60.8 1.83 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.814 0.34 . . . . 74.33 110.206 170.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.457 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.1 p-10 -171.54 -176.32 1.79 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.004 -0.544 . . . . 62.1 110.817 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.5 m-85 -125.56 154.62 41.91 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.436 -0.347 . . . . 72.43 110.307 173.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -128.97 147.36 50.85 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.872 0.368 . . . . 74.11 111.437 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 31' ' ' TYR . 95.7 t -103.19 119.62 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.879 0.371 . . . . 54.03 111.561 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 79.0 mtp180 -134.7 178.3 7.11 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.804 0.335 . . . . 74.51 111.019 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.971 0.415 . . . . 72.13 111.837 -179.478 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 120.859 0.361 . . . . 75.23 111.735 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.9 p -155.07 158.58 39.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.826 0.346 . . . . 65.22 111.279 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -94.83 131.15 41.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.121 0.486 . . . . 53.21 111.395 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.543 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 29.8 m95 -107.92 138.98 43.23 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.002 -0.545 . . . . 75.25 111.694 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.2 mt -94.82 112.24 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 115.789 -0.641 . . . . 72.23 112.044 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.05 117.2 33.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.924 0.393 . . . . 72.42 110.936 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.809 HH12 HG22 ' A' ' 63' ' ' VAL . 34.8 mmt180 -104.62 149.25 25.7 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.097 0.475 . . . . 72.22 112.125 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -55.84 -28.3 55.71 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.785 -0.643 . . . . 65.24 112.085 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.55 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 23.4 t70 -55.46 -33.53 63.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.326 -0.397 . . . . 43.44 111.845 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.9 -26.82 7.76 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.34 -0.457 . . . . 53.24 112.518 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 p -73.77 155.92 38.37 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.917 0.389 . . . . 73.31 111.488 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.48 41.99 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.254 0.549 . . . . 61.04 112.265 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -135.28 -171.77 2.9 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.994 -0.548 . . . . 72.43 110.722 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 79' ' ' TRP . 15.8 ptt180 -140.81 171.97 13.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.128 -0.323 . . . . 73.23 110.128 172.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.25 128.84 10.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.238 0.542 . . . . 73.44 111.833 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 m -85.41 95.42 9.25 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.044 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -53.14 -29.12 29.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.724 0.638 . . . . 64.32 112.724 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 112.693 0.627 . . . . 73.35 112.693 -179.668 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 CA--C 1.539 0.761 0 CA-C-O 120.779 0.241 . . . . 70.21 111.89 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.499 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -84.73 106.61 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 64.21 111.064 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 121.53 44.31 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.891 0.376 . . . . 61.45 110.46 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -131.98 118.22 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 116.432 -0.349 . . . . 72.14 111.564 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.9 24.67 14.72 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.615 0.598 . . . . 74.33 112.615 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.24 -6.66 61.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 74.25 112.887 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -95.19 108.79 20.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.538 -0.389 . . . . 74.22 110.544 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -83.58 129.32 34.96 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.194 0.521 . . . . 73.22 111.567 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 70.3 m-85 -122.65 136.01 54.76 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.367 -0.379 . . . . 72.24 111.43 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.34 82.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.12 0.415 . . . . 74.45 112.12 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.59 173.71 11.37 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.159 0.504 . . . . 75.24 111.575 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -58.23 -39.24 78.57 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.036 -0.529 . . . . 71.43 111.769 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -31.89 30.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.69 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.586 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 41.2 m-20 -65.66 -53.22 44.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.426 -0.352 . . . . 72.13 111.487 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.61 -42.97 89.41 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.011 0.434 . . . . 75.14 111.37 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.091 -0.504 . . . . 71.34 111.07 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.74 -46.66 88.65 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.795 0.331 . . . . 72.25 111.42 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.16 -57.34 13.27 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.489 -0.323 . . . . 71.11 110.709 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.701 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 73.7 mtm -55.61 -34.41 64.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.249 0.462 . . . . 73.32 112.249 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.81 -52.55 56.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.91 0.386 . . . . 74.11 111.231 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.0 t -61.46 -53.52 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.279 -0.419 . . . . 64.12 111.6 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.701 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.3 ptm -56.3 -38.42 71.22 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.8 0.333 . . . . 64.43 110.977 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.85 -47.48 83.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.948 0.404 . . . . 73.11 111.285 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -75.67 -13.11 60.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.94 0.4 . . . . 73.23 111.334 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.06 -34.23 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.994 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -84.49 155.01 22.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.01 0.433 . . . . 75.05 110.544 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -87.8 161.35 44.77 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.648 -0.251 . . . . 74.32 110.331 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 59.1 Cg_endo -71.19 52.14 1.44 Allowed 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 122.674 2.249 . . . . 74.33 113.411 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.76 21.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.055 -0.52 . . . . 53.34 112.941 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -110.31 160.78 16.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.285 0.564 . . . . 72.53 112.403 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 67' ' ' GLU . 47.2 mm -91.61 137.57 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.63 -0.714 . . . . 64.02 110.313 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.33 140.19 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 120.939 0.4 . . . . 51.44 111.415 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -63.3 161.16 14.4 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.45 111.792 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.1 m -60.54 -48.76 80.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.892 0.33 . . . . 71.51 111.892 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.31 -51.48 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.139 0.495 . . . . 63.01 111.314 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -40.23 72.29 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.861 -0.609 . . . . 73.33 110.828 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.62 -42.49 99.69 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.017 -0.538 . . . . 65.12 112.601 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.67 -36.46 67.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.068 0.461 . . . . 41.22 111.33 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.44 -45.89 82.05 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.991 -0.55 . . . . 75.21 110.543 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.64 -38.09 88.9 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.18 -0.464 . . . . 60.52 112.057 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG22 HG11 ' A' ' 63' ' ' VAL . 91.0 t -59.26 -48.41 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.178 0.513 . . . . 61.25 110.668 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -61.84 -47.55 84.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.89 -0.596 . . . . 75.21 111.256 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.377 -0.374 . . . . 63.51 111.072 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.72 -44.11 94.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.249 -0.432 . . . . 62.35 111.236 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.79 -33.67 61.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.115 0.483 . . . . 65.0 111.4 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.73 34.91 0.4 Allowed 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 112.35 0.5 . . . . 75.22 112.35 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -122.59 145.49 45.09 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 122.627 0.371 . . . . 74.35 111.197 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -15.92 35.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.457 2.105 . . . . 70.24 112.165 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -100.88 13.88 33.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.013 -0.539 . . . . 50.41 111.234 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.85 -59.89 2.78 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.583 0.586 . . . . 65.45 112.583 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -48.81 -39.58 25.94 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.455 0.539 . . . . 64.42 112.455 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -71.91 -39.05 69.79 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.917 0.389 . . . . 62.43 111.881 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -87.0 -12.46 47.37 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.038 0.384 . . . . 74.3 112.038 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -93.69 -57.48 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 122.069 -0.394 . . . . 70.34 111.326 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.66 -125.5 37.11 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 121.398 -0.43 . . . . 53.34 113.079 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.79 -21.15 25.33 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.724 2.283 . . . . 65.0 113.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.13 169.85 16.76 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.758 -0.734 . . . . 74.43 113.71 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.488 HG22 HH22 ' A' ' 82' ' ' ARG . 61.2 t -91.09 124.77 43.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 111.867 0.321 . . . . 73.4 111.867 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 72.9 ttt180 -93.67 -65.88 0.96 Allowed 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.604 -0.271 . . . . 73.23 110.868 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 2.4 p-10 -158.08 -175.84 5.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.767 0.318 . . . . 53.31 111.604 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -138.25 129.59 27.52 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.523 -0.308 . . . . 74.52 111.411 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD13 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -99.59 145.34 27.65 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.914 0.387 . . . . 72.54 111.269 172.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.81 116.78 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.549 -0.296 . . . . 60.13 111.145 175.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' PRO . 53.5 mtt180 -136.3 -178.49 5.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.674 0.273 . . . . 73.43 110.941 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 60.2 p . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 121.083 0.468 . . . . 65.24 111.391 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.2 mt-30 . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.646 0.26 . . . . 55.52 110.762 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 41.9 t -160.54 146.08 14.83 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.007 0.432 . . . . 74.34 111.875 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.08 137.53 34.06 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.15 -0.477 . . . . 64.3 110.751 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -104.84 122.12 45.1 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.349 0.595 . . . . 74.02 111.726 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 ' NE ' ' A' ' 82' ' ' ARG . 51.9 mt -80.64 92.83 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.627 -0.715 . . . . 64.02 111.882 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.497 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.2 mm? -81.53 117.64 22.09 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.165 0.507 . . . . 71.53 111.009 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.488 HH22 HG22 ' A' ' 63' ' ' VAL . 5.0 mmp_? -86.22 158.23 19.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.064 -0.516 . . . . 74.41 111.237 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -64.83 -15.78 62.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.808 0.337 . . . . 73.01 111.11 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -63.71 -33.83 76.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.444 0.64 . . . . 73.12 110.709 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.8 -24.81 10.66 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 115.608 -0.724 . . . . 65.2 111.897 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 m -66.97 157.07 34.27 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.889 0.375 . . . . 53.43 111.618 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.497 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -119.5 -178.36 3.59 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.509 0.559 . . . . 74.22 112.509 179.163 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.56 166.39 8.24 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.26 -0.645 . . . . 75.4 109.26 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.446 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 3.1 ptm180 -138.52 134.86 34.47 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.725 -0.609 . . . . 63.54 111.497 176.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -124.37 113.74 18.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.192 0.52 . . . . 74.25 111.846 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.77 81.78 0.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.069 0.461 . . . . 72.35 110.601 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -52.86 -25.86 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.64 0.978 . . . . 64.41 113.64 -174.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 120.665 0.269 . . . . 65.22 111.595 179.286 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 CA--C 1.541 0.873 0 N-CA-C 113.627 0.587 . . . . 74.42 113.627 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.494 HG23 ' NH1' ' A' ' 51' ' ' ARG . 2.3 mp -68.8 94.09 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.031 0.443 . . . . 64.5 110.273 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 113.87 24.54 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.325 -0.398 . . . . 72.24 110.941 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -131.6 117.07 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.367 -0.378 . . . . 65.31 111.109 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.8 27.13 15.62 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.456 0.539 . . . . 73.25 112.456 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.2 63.29 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.468 -0.396 . . . . 74.44 113.142 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -99.33 109.53 22.13 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 122.516 -0.402 . . . . 75.55 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -91.98 109.17 20.51 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.077 0.465 . . . . 72.31 111.582 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -100.5 104.02 15.38 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.411 -0.359 . . . . 74.42 111.269 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.17 68.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.213 0.53 . . . . 65.12 111.396 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 9.1 tpp180 -110.49 130.3 55.59 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.264 -0.425 . . . . 41.03 111.06 177.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 21' ' ' LEU . 52.9 tptt -55.65 -41.55 73.75 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.96 0.41 . . . . 64.01 111.19 175.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.11 70.26 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.737 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 28.5 t0 -66.43 -42.11 88.19 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.296 0.569 . . . . 74.41 110.14 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 24' ' ' MET . . . -59.84 -48.7 80.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.941 -0.572 . . . . 73.12 111.075 173.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 17' ' ' LYS . 80.3 mt -60.26 -37.11 79.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.961 -0.563 . . . . 74.01 111.219 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.96 -61.68 2.45 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.049 -0.523 . . . . 60.1 110.993 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.3 -46.47 62.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.937 0.399 . . . . 74.41 111.626 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 66.6 mtt -57.4 -42.38 82.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.141 -0.481 . . . . 71.22 111.528 178.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 28' ' ' LEU . 52.0 tttp -82.5 -22.07 35.23 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.634 0.605 . . . . 72.23 112.634 -177.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.5 t -59.9 -47.29 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.898 -0.501 . . . . 71.4 110.699 175.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.41 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 25.5 ptt? -73.7 -36.21 65.24 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.379 -0.373 . . . . 70.24 111.102 175.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HB3' ' HA ' ' A' ' 25' ' ' LYS . 57.1 tp -56.79 -44.91 82.38 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.073 0.463 . . . . 75.32 111.548 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.3 -14.08 60.85 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.071 -0.513 . . . . 73.24 111.773 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -79.54 -33.85 41.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.938 0.399 . . . . 64.13 110.631 175.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -84.55 175.86 9.0 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.161 0.505 . . . . 64.02 111.266 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -119.99 155.34 55.47 Favored Pre-proline 0 N--CA 1.469 0.482 0 CA-C-N 116.295 -0.411 . . . . 75.31 111.099 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.23 75.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.76 2.307 . . . . 71.14 112.578 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.11 -10.66 0.76 Allowed Glycine 0 CA--C 1.528 0.874 0 CA-C-N 114.823 -1.081 . . . . 70.15 112.913 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.84 152.27 20.83 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.336 0.589 . . . . 74.32 112.192 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.28 144.51 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.829 -0.623 . . . . 73.21 111.586 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.69 145.35 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 116.479 -0.328 . . . . 74.4 111.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -64.92 162.13 17.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.041 0.448 . . . . 51.12 111.611 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.9 -42.07 99.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.885 0.374 . . . . 64.32 111.308 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.23 -54.3 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.031 0.443 . . . . 74.43 111.824 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 49.0 m-20 -71.8 -29.2 64.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.081 0.467 . . . . 73.04 111.031 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.69 -43.23 99.53 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.254 -0.498 . . . . 75.44 112.767 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.78 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.986 0.422 . . . . 64.31 111.514 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.4 -46.39 88.83 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.111 -0.495 . . . . 70.53 110.691 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.73 -39.47 94.18 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.961 -0.563 . . . . 65.12 111.532 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' A' ' 50' ' ' LYS . 61.4 t -58.41 -50.6 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 120.735 0.303 . . . . 70.11 110.919 177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -56.85 -48.16 78.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.115 0.483 . . . . 73.42 111.278 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -33.01 67.56 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.142 -0.481 . . . . 63.33 111.409 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 80' ' ' ILE . 56.6 tp -74.2 -44.47 53.19 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.293 -0.412 . . . . 72.13 111.588 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HE2' HG12 ' A' ' 46' ' ' VAL . 68.8 mttm -50.52 -49.31 56.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 64.13 112.224 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' NH1' HG23 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -80.2 37.8 0.39 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -173.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -134.4 150.48 74.01 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.634 0.374 . . . . 72.22 111.313 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.03 -19.32 68.78 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.477 2.118 . . . . 72.24 112.756 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.34 -5.65 56.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.26 -0.427 . . . . 70.55 111.959 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.54 -68.46 0.19 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.402 0.89 . . . . 73.2 113.402 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -51.31 -32.43 25.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.806 0.669 . . . . 41.32 112.806 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -77.23 -46.32 23.58 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.098 0.475 . . . . 55.12 111.59 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.686 ' HG2' ' HG2' ' A' ' 88' ' ' GLU . 56.1 mttp -87.1 -2.62 58.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.562 0.578 . . . . 72.13 112.562 -175.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -107.2 -52.98 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.995 0.426 . . . . 64.5 110.911 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.57 12.99 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.975 -0.631 . . . . 53.43 112.052 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -78.67 -40.93 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.443 2.095 . . . . 74.54 112.718 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.34 176.86 48.24 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.981 -0.628 . . . . 72.2 113.5 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.24 130.24 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.827 0.346 . . . . 62.41 111.375 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.76 -54.93 4.55 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 120.806 0.336 . . . . 73.31 110.141 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -168.22 -177.41 3.26 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.286 -0.416 . . . . 72.05 111.162 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -119.85 145.42 46.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.743 0.306 . . . . 72.33 111.277 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -126.86 134.75 50.44 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.882 0.372 . . . . 73.34 111.534 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.9 t -91.09 106.27 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.701 0.286 . . . . 74.34 111.232 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -119.77 154.2 34.56 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.232 -0.292 . . . . 72.31 110.756 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 120.816 0.341 . . . . 73.2 111.108 178.468 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.521 ' HB2' HD21 ' A' ' 28' ' ' LEU . 43.8 mt-30 . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 120.554 0.216 . . . . 62.53 110.658 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -141.8 139.83 32.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.956 0.408 . . . . 73.34 111.697 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -82.87 115.96 21.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.207 -0.451 . . . . 72.42 111.261 176.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -95.97 129.11 43.33 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.343 0.592 . . . . 74.32 111.53 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 49' ' ' LEU . 33.5 mt -90.58 109.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.599 -0.728 . . . . 64.31 111.353 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -82.18 92.63 6.92 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.167 0.508 . . . . 71.52 110.092 175.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.469 ' NH2' ' HB2' ' A' ' 88' ' ' GLU . 81.9 mtm180 -73.98 143.61 45.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.02 -0.536 . . . . 71.4 112.041 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.7 p -63.68 -13.76 45.83 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.237 0.542 . . . . 62.31 111.128 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.82 -27.54 51.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.565 -0.743 . . . . 62.5 111.562 172.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.84 22.76 11.63 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.311 -0.471 . . . . 74.25 112.138 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 m -151.18 136.45 17.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.626 0.371 . . . . 71.21 111.023 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -87.2 174.22 8.74 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 120.768 0.318 . . . . 73.35 111.802 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.686 ' HG2' ' HG2' ' A' ' 58' ' ' LYS . 8.6 tp10 -169.65 144.27 2.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.193 -0.458 . . . . 52.11 110.737 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -106.37 152.42 23.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.177 0.513 . . . . 75.32 111.968 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -137.34 123.83 20.84 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 73.35 110.785 174.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.1 m -80.38 86.19 5.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.109 0.481 . . . . 51.34 111.352 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -51.47 -36.02 42.47 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.793 0.664 . . . . 70.43 112.793 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.725 0.639 . . . . 73.52 112.725 -177.182 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo . . . . . 0 CA--C 1.541 0.867 0 N-CA-C 113.363 0.486 . . . . 55.23 113.363 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -78.03 96.56 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.42 -0.354 . . . . 62.14 110.54 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 32.3 tt0 -83.21 120.09 25.37 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.037 0.446 . . . . 73.24 111.362 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.8 mt -129.35 109.73 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.066 -0.516 . . . . 71.33 110.273 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.87 34.44 24.35 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.279 0.562 . . . . 75.11 111.197 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.3 -26.63 16.5 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 116.016 -0.538 . . . . 32.44 112.97 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -74.81 98.15 3.44 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 74.52 111.119 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 8.0 pt-20 -95.74 103.29 15.16 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.262 0.553 . . . . 51.32 112.099 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -90.77 126.51 36.03 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.316 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.45 -17.89 64.29 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.01 0.433 . . . . 64.21 112.092 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.2 ptt85 -144.79 142.47 30.01 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.087 -0.506 . . . . 71.33 111.256 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -39.32 90.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.982 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.58 68.37 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.131 0.419 . . . . 71.43 112.131 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 12.2 t70 -67.79 -40.71 83.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.19 0.519 . . . . 63.0 110.491 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.17 90.11 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.04 -0.527 . . . . 73.31 111.062 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.63 -48.04 82.67 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.908 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.82 -50.89 71.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.222 -0.444 . . . . 63.42 111.328 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -52.46 -55.36 22.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.923 0.392 . . . . 75.11 111.665 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.12 -31.0 71.98 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.081 0.4 . . . . 73.4 112.081 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HD2' HD23 ' A' ' 28' ' ' LEU . 26.9 tptp -70.99 -39.48 72.41 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.218 -0.301 . . . . 74.05 111.453 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' ALA . 70.8 t -50.1 -60.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.611 0.243 . . . . 73.32 111.604 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.603 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 24.8 ptt? -60.7 -37.61 82.26 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.752 0.31 . . . . 75.13 110.878 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' HD2' ' A' ' 25' ' ' LYS . 28.1 tp -57.99 -32.26 67.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.356 -0.383 . . . . 74.11 111.591 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 25' ' ' LYS . 67.6 m-80 -66.87 -35.06 79.16 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 122.174 -0.328 . . . . 50.43 111.353 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -79.36 -29.9 42.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.914 0.388 . . . . 75.43 111.933 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -86.08 111.41 20.3 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.875 0.369 . . . . 73.31 110.658 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -75.14 163.98 64.37 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 122.347 -0.22 . . . . 70.3 111.005 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.33 76.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.301 2.001 . . . . 74.34 111.448 171.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.39 -11.78 0.26 Allowed Glycine 0 CA--C 1.528 0.897 0 CA-C-N 114.324 -1.307 . . . . 63.42 112.832 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.43 147.83 27.62 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.348 0.594 . . . . 73.31 112.439 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -92.61 136.91 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.615 -0.721 . . . . 61.3 110.318 171.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.22 142.23 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.44 -0.346 . . . . 75.41 111.127 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.9 p -63.77 171.05 2.93 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.295 0.569 . . . . 72.24 112.136 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.4 m -68.93 -37.33 78.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.055 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.6 t -65.22 -59.57 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.906 0.384 . . . . 65.55 111.175 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 48.2 m-20 -63.28 -36.85 85.03 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.203 0.525 . . . . 73.45 110.819 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -60.81 -41.5 99.18 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 116.069 -0.514 . . . . 63.1 112.907 176.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.86 80.19 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.137 0.494 . . . . 71.34 111.129 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.1 -49.13 78.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.877 -0.601 . . . . 72.25 110.709 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.26 -39.97 80.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.126 -0.488 . . . . 53.21 111.998 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 42' ' ' GLY . 95.4 t -57.16 -52.21 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 120.728 0.299 . . . . 73.11 111.141 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.97 -37.53 87.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 111.923 0.342 . . . . 64.32 111.923 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.72 -34.59 76.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.234 0.54 . . . . 72.1 111.066 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.619 HD22 HD13 ' A' ' 80' ' ' ILE . 56.4 tp -74.18 -51.34 15.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.343 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -50.43 -31.8 16.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.367 0.877 . . . . 62.43 113.367 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -84.55 24.64 0.98 Allowed 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.992 -0.442 . . . . 72.32 112.096 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -107.21 149.46 38.71 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 122.826 0.45 . . . . 74.31 111.066 172.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.77 -25.6 28.38 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.256 1.971 . . . . 64.52 111.977 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.13 -1.49 57.93 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.0 -0.546 . . . . 75.0 111.894 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -50.02 -55.29 15.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.544 0.572 . . . . 75.21 112.544 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -47.7 -47.58 29.82 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.546 0.572 . . . . 65.34 112.546 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.0 m -70.56 -34.23 71.99 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.09 0.472 . . . . 72.34 111.301 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 12.4 tppt? -75.46 -28.95 59.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.93 -0.577 . . . . 72.13 111.293 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.455 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 79.5 mt -81.91 -41.33 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.487 -0.324 . . . . 74.43 111.409 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.39 19.69 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 114.065 0.386 . . . . 63.25 114.065 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.527 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 94.7 Cg_endo -75.05 -20.74 16.46 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.734 2.289 . . . . 64.45 114.056 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.58 161.77 10.17 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.727 -0.749 . . . . 33.44 113.502 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.574 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 53.1 t -84.64 112.77 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 120.939 0.399 . . . . 75.35 111.864 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HG2' HD22 ' A' ' 65' ' ' ASN . 76.7 ttt180 -91.86 -61.0 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.7 0.286 . . . . 54.34 110.933 177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.411 HD22 ' HG2' ' A' ' 64' ' ' ARG . 8.9 p30 -170.01 -175.3 1.99 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.006 0.432 . . . . 72.3 111.402 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.42 134.18 51.06 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.005 -0.543 . . . . 65.24 110.339 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -128.65 137.1 51.47 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.854 0.359 . . . . 61.45 111.138 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.42 136.48 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.589 0.588 . . . . 73.22 112.589 -176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.506 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 36.0 ttt180 -146.21 152.7 39.64 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.742 -0.663 . . . . 73.22 109.612 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.473 0.711 0 O-C-N 121.991 -0.443 . . . . 71.44 111.435 -179.151 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 120.89 0.376 . . . . 70.3 111.728 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' A' ' 89' ' ' ARG . 46.3 t -158.75 148.15 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.845 0.355 . . . . 73.32 111.37 175.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -83.38 118.31 23.62 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.391 -0.368 . . . . 73.43 111.365 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 15.7 m95 -93.88 134.66 36.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.249 0.547 . . . . 72.14 111.243 175.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.619 HD13 HD22 ' A' ' 49' ' ' LEU . 65.7 mt -92.47 109.66 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.783 -0.644 . . . . 74.33 112.23 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.12 127.21 34.15 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.336 0.589 . . . . 74.34 111.514 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.574 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 5.2 mmp_? -100.09 154.34 18.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.858 -0.61 . . . . 71.42 111.159 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p -54.55 -43.41 71.98 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.257 0.465 . . . . 45.12 112.257 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 0.7 OUTLIER -70.9 10.83 0.47 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.247 0.832 . . . . 75.04 113.247 178.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.1 51.45 10.2 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.987 -0.625 . . . . 42.52 113.3 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 t -128.32 138.11 52.24 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.225 -0.287 . . . . 72.12 110.225 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -127.92 121.33 29.67 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.54 0.686 . . . . 72.23 112.341 -177.015 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -145.09 141.15 28.56 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.11 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.571 ' HD2' ' SG ' ' A' ' 77' ' ' CYS . 50.4 ptt85 -97.38 -178.83 4.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.525 0.678 . . . . 75.32 112.106 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -138.75 121.36 16.27 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.417 -0.81 . . . . 74.34 110.191 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.0 m -68.56 75.25 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.353 0.597 . . . . 71.13 111.428 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -56.66 -24.5 49.02 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.69 -0.686 . . . . 75.02 112.392 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.8 pttt . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.447 0.536 . . . . 72.42 112.447 -178.503 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 CA--C 1.538 0.713 0 CA-C-O 120.654 0.189 . . . . 72.25 111.696 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 3.0 mp -67.27 90.72 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.06 0.457 . . . . 64.32 110.49 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.7 tm-20 -102.37 110.11 21.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.555 . . . . 74.1 111.096 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.0 mt -125.22 121.61 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.767 -0.652 . . . . 71.11 111.004 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.9 26.68 15.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.339 0.496 . . . . 72.14 112.339 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.87 -0.22 69.49 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.294 -0.479 . . . . 51.13 113.28 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -103.52 103.43 13.39 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.623 -0.339 . . . . 75.21 110.501 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 11.3 pt-20 -89.33 141.12 28.82 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.248 0.547 . . . . 75.42 111.653 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 90.2 m-85 -126.27 123.15 37.47 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.017 -0.538 . . . . 73.21 111.112 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -23.19 66.85 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.263 0.468 . . . . 73.14 112.263 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -147.35 143.09 27.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.528 -0.306 . . . . 71.22 110.601 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -39.58 79.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.911 0.386 . . . . 73.2 111.342 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.98 -23.49 61.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.162 0.43 . . . . 74.21 112.162 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.2 -35.89 48.02 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.066 0.46 . . . . 61.04 110.838 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 93.02 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.121 -0.49 . . . . 43.32 111.289 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 93' ' ' LYS . 70.7 mt -56.42 -42.6 78.32 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.26 -0.427 . . . . 75.21 111.131 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.66 -49.87 75.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.991 -0.549 . . . . 61.24 111.279 177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.35 -48.47 74.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.931 0.396 . . . . 51.23 111.398 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.0 mtt -58.0 -40.73 81.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.304 -0.407 . . . . 45.11 111.218 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -64.2 -45.94 86.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.839 0.352 . . . . 70.04 110.465 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.1 t -55.67 -52.96 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 111.906 0.336 . . . . 71.12 111.906 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.09 -28.06 67.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.087 -0.383 . . . . 74.3 111.22 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' A' ' 76' ' ' GLN . 47.8 tp -69.85 -18.42 63.43 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.098 0.475 . . . . 73.34 111.037 174.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -94.24 -29.8 14.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.037 0.446 . . . . 65.25 110.853 172.442 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -60.8 -38.87 86.85 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.312 0.577 . . . . 74.23 110.399 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.96 115.09 28.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 73.4 110.471 172.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' HB2' ' OD1' ' A' ' 35' ' ' ASP . 48.8 mtm180 -63.52 160.67 41.16 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.305 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HA ' HG12 ' A' ' 68' ' ' VAL . 37.5 Cg_endo -65.12 25.29 0.08 OUTLIER 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 122.778 2.319 . . . . 73.34 114.164 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -152.37 24.89 0.87 Allowed Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.689 -0.291 . . . . 63.33 112.616 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -118.05 161.77 19.28 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.353 0.597 . . . . 72.11 112.209 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -97.56 132.85 41.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.654 -0.703 . . . . 74.32 111.153 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 55.9 t -72.32 128.0 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 116.451 -0.341 . . . . 62.3 111.042 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.4 t -72.71 178.35 4.21 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.981 0.42 . . . . 64.52 112.043 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.5 m -60.08 -48.44 81.72 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.945 0.72 . . . . 64.2 112.945 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.25 -59.27 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.003 0.43 . . . . 74.52 111.954 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.48 -38.57 87.78 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.054 0.454 . . . . 73.42 111.002 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.34 -42.98 99.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.118 -0.492 . . . . 42.24 112.912 177.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.61 80.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.866 0.365 . . . . 75.13 111.287 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.26 -40.94 83.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.095 0.474 . . . . 62.22 110.494 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.85 -41.94 82.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.828 -0.624 . . . . 64.22 111.329 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.476 HG12 ' HE2' ' A' ' 50' ' ' LYS . 97.5 t -57.26 -47.7 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.928 0.394 . . . . 74.13 111.201 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.42 -43.7 89.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.108 0.48 . . . . 71.24 110.688 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.45 66.19 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.045 -0.525 . . . . 32.24 111.456 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.62 -48.15 12.11 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.277 -0.419 . . . . 63.43 111.091 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HE2' HG12 ' A' ' 46' ' ' VAL . 68.0 mttm -53.84 -28.26 34.67 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.155 0.798 . . . . 71.5 113.155 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -70.58 -14.33 62.45 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.092 0.405 . . . . 43.42 112.092 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -91.5 148.33 37.23 Favored Pre-proline 0 N--CA 1.474 0.775 0 N-CA-C 111.826 0.306 . . . . 70.14 111.826 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.67 -22.76 27.46 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.251 1.967 . . . . 70.44 112.554 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.85 7.64 42.96 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.246 -0.434 . . . . 65.53 111.711 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.47 -53.84 26.65 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.02 0.748 . . . . 52.21 113.02 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -51.21 -33.41 27.56 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.902 0.704 . . . . 75.54 112.902 -175.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.1 m -73.87 -36.18 64.8 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.039 0.447 . . . . 70.2 111.871 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -83.59 -18.03 39.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.808 0.337 . . . . 72.5 111.395 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -82.95 -41.61 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.08 0.467 . . . . 65.14 110.521 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.47 -134.9 41.94 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 116.041 -0.527 . . . . 75.12 112.966 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.73 2.1 8.79 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.645 2.23 . . . . 60.43 113.195 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.6 152.16 5.63 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 121.211 -0.518 . . . . 42.05 113.116 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -94.72 129.19 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.121 0.486 . . . . 73.32 111.318 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.415 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 44.3 ttm180 -91.24 -55.4 3.54 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.799 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.415 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.4 p-10 -168.01 -179.45 4.15 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.927 0.394 . . . . 75.3 111.053 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.3 m-85 -119.34 149.27 42.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.801 0.334 . . . . 74.44 110.842 176.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.68 146.48 50.86 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.868 0.366 . . . . 74.22 111.169 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 33' ' ' PRO . 98.5 t -102.45 125.54 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.001 0.429 . . . . 64.32 111.235 177.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 62.0 ttt180 -146.08 148.94 33.17 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.456 -0.338 . . . . 75.01 111.178 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 77.9 p . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 121.19 0.519 . . . . 72.55 112.317 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 121.169 0.509 . . . . 74.01 111.362 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.2 m -142.56 154.26 44.29 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.986 -0.552 . . . . 53.45 110.435 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -89.62 117.43 28.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.039 0.447 . . . . 74.23 111.363 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 31.8 m95 -94.79 128.47 41.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.884 -0.598 . . . . 63.23 111.749 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.405 HG12 ' CE2' ' A' ' 66' ' ' PHE . 56.0 mt -89.99 109.98 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.901 0.381 . . . . 72.02 111.53 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.7 mm? -83.95 96.41 8.83 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.859 0.361 . . . . 60.23 110.428 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -79.34 148.4 32.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.585 -0.28 . . . . 73.53 111.407 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -58.4 -25.77 62.49 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.002 0.43 . . . . 74.4 111.254 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.02 -39.11 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.758 -0.655 . . . . 64.32 111.536 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.11 -30.84 6.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.932 -0.576 . . . . 34.23 112.518 -175.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.6 m -78.44 107.0 10.76 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 122.653 -0.322 . . . . 72.45 111.388 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.585 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.65 138.07 36.38 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.066 0.46 . . . . 73.24 111.671 178.386 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -136.95 131.63 33.28 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.904 0.383 . . . . 73.01 110.871 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -97.89 157.25 16.2 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.179 0.437 . . . . 71.23 112.179 -175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -132.89 141.5 48.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.961 0.41 . . . . 71.51 111.021 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.71 -16.01 55.38 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.341 0.867 . . . . 70.12 113.341 -173.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 p90 57.77 -61.11 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.91 1.284 . . . . 64.1 113.944 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HA ' HD22 ' A' ' 21' ' ' LEU . 22.1 ptmt . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 112.76 0.652 . . . . 72.54 112.76 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 CA--C 1.539 0.764 0 CA-C-O 121.123 0.384 . . . . 74.51 112.437 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.1 mp -78.07 96.29 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.892 0.377 . . . . 74.12 110.686 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -92.8 120.45 33.18 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.82 0.343 . . . . 75.42 111.47 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -132.93 115.02 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.556 -0.293 . . . . 65.13 110.993 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.44 31.38 20.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.526 0.565 . . . . 70.05 112.526 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.81 8.09 80.23 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.041 -0.6 . . . . 51.23 113.063 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -107.16 106.15 16.49 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.935 -0.394 . . . . 71.34 109.935 175.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -89.69 114.41 26.06 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.409 0.623 . . . . 54.43 111.414 -179.051 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 92.5 m-85 -96.45 131.71 42.75 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.29 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.6 57.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.02 0.748 . . . . 73.24 113.02 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HG2' ' HB2' ' A' ' 19' ' ' ASP . 23.2 ptt-85 -165.27 160.39 18.3 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.371 0.268 . . . . 72.53 110.448 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.6 tmtt? -59.15 -42.05 89.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.782 0.325 . . . . 65.45 110.852 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -24.95 67.49 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.228 -0.442 . . . . 65.31 111.77 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 38.4 t0 -71.21 -43.21 67.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.202 0.525 . . . . 63.31 109.976 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.041 -0.527 . . . . 61.21 111.042 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 78.7 mt -64.0 -39.47 94.19 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.128 -0.487 . . . . 73.45 110.993 177.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -60.17 -45.34 93.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.877 0.37 . . . . 75.52 111.299 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 27' ' ' MET . 71.9 t80 -58.38 -59.99 4.49 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.321 -0.4 . . . . 63.03 111.093 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtm -56.17 -29.18 60.48 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.114 0.413 . . . . 71.45 112.114 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -47.44 73.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.377 -0.202 . . . . 62.23 111.255 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 22' ' ' ALA . 88.9 t -56.52 -55.03 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.003 0.43 . . . . 65.42 111.384 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 13.5 ptm -60.93 -37.21 81.53 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.222 -0.445 . . . . 73.3 111.717 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD21 ' O ' ' A' ' 76' ' ' GLN . 47.7 tp -62.0 -40.19 94.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.97 0.415 . . . . 72.01 111.48 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.85 -31.28 71.79 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.867 0.365 . . . . 74.43 111.399 179.436 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.35 -33.62 75.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.028 -0.533 . . . . 74.41 112.128 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 79.9 m-85 -100.47 141.58 33.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.322 0.582 . . . . 75.33 112.327 -177.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -86.26 166.49 28.12 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.724 -0.671 . . . . 73.04 110.505 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 25.0 Cg_exo -62.24 72.76 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.516 2.144 . . . . 62.21 112.366 173.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.1 -15.24 0.23 Allowed Glycine 0 CA--C 1.529 0.922 0 CA-C-N 115.369 -0.832 . . . . 65.33 113.351 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 54.6 m-20 -79.12 144.11 34.85 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.49 0.662 . . . . 71.2 112.006 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -89.13 138.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.64 -0.709 . . . . 73.31 111.054 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.21 142.65 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.222 -0.445 . . . . 70.42 110.673 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -76.57 177.05 7.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.228 0.537 . . . . 53.44 112.099 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.9 m -65.7 -28.8 69.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.132 -0.486 . . . . 44.12 111.35 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -73.34 -68.5 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.383 -0.371 . . . . 64.42 111.374 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -28.71 65.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.769 0.318 . . . . 64.31 111.481 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -55.96 -47.23 81.28 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 121.151 -0.547 . . . . 54.5 112.785 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.73 98.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.992 0.425 . . . . 64.14 111.124 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -54.72 -49.1 71.58 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.854 -0.612 . . . . 43.12 111.03 175.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.5 mt -61.52 -39.12 89.86 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.128 -0.487 . . . . 72.32 111.991 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' GLY . 84.9 t -60.22 -47.14 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.719 0.295 . . . . 55.43 111.364 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.7 -45.1 91.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.874 0.369 . . . . 72.21 111.258 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.95 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.184 0.516 . . . . 70.5 111.025 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.42 -60.84 2.38 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.519 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -51.57 -32.64 29.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.112 1.153 . . . . 73.55 114.112 -172.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.28 15.45 0.33 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.886 -0.509 . . . . 71.31 112.325 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -112.9 137.95 22.02 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 122.662 0.385 . . . . 74.43 110.358 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.75 -34.51 98.31 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.656 2.237 . . . . 74.31 113.228 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.19 -5.94 59.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.413 0.523 . . . . 55.44 112.413 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -53.62 -45.28 70.06 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.76 0.652 . . . . 61.31 112.76 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -50.61 -35.67 31.42 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.651 0.611 . . . . 73.35 112.651 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -63.89 -22.04 66.73 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.973 0.416 . . . . 63.24 111.802 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 41.3 mttm -113.55 15.07 19.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.369 0.604 . . . . 64.44 111.329 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.491 ' HA ' HH11 ' A' ' 82' ' ' ARG . 74.9 mt -104.75 -50.05 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.144 -0.48 . . . . 24.1 110.007 171.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.99 -111.51 3.63 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 116.076 -0.511 . . . . 72.44 113.725 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.84 -31.87 6.13 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.491 2.127 . . . . 43.11 112.987 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.98 165.97 14.73 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.655 -0.783 . . . . 71.51 114.129 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.53 HG13 ' NH2' ' A' ' 82' ' ' ARG . 68.6 t -87.78 120.65 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 122.634 0.373 . . . . 73.23 111.307 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HG2' HD22 ' A' ' 65' ' ' ASN . 73.8 ttt180 -90.38 -46.87 8.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.01 0.433 . . . . 71.03 110.662 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 6.5 p30 -174.58 -169.7 0.45 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.958 -0.564 . . . . 71.11 110.849 175.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.25 139.98 47.24 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.511 0.324 . . . . 75.31 110.66 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -117.46 151.66 36.62 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.981 0.42 . . . . 73.43 110.996 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 31' ' ' TYR . 83.3 t -103.47 116.51 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.429 -0.35 . . . . 74.3 110.722 176.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -132.61 153.55 50.93 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 122.383 -0.198 . . . . 62.24 111.512 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 114.541 1.311 . . . . 61.53 114.541 -171.535 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 120.921 0.391 . . . . 65.21 110.815 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 96.7 m -137.27 153.69 50.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.345 -0.389 . . . . 52.31 110.645 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.02 117.7 24.15 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.099 0.476 . . . . 74.21 110.598 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 29.9 m95 -95.61 137.05 35.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.886 0.85 . . . . 73.21 112.652 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.4 mt -81.82 91.02 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.594 -1.185 . . . . 70.42 111.889 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.4 mm? -81.66 117.04 21.69 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.158 0.504 . . . . 75.22 110.885 175.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.533 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -102.36 149.98 23.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.967 0.413 . . . . 71.01 111.968 -178.564 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.2 p -60.83 -19.52 59.96 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.178 0.514 . . . . 74.41 110.874 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.74 -50.55 60.37 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.602 -0.726 . . . . 75.03 111.427 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.6 -32.92 2.41 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.028 -0.533 . . . . 75.05 112.58 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.9 p -86.17 169.63 12.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.037 0.446 . . . . 75.22 111.495 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.586 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -133.73 137.94 45.52 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.281 0.562 . . . . 72.45 112.002 177.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.19 -171.74 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.379 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -141.94 139.11 32.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.076 -0.39 . . . . 73.32 111.561 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -131.7 128.76 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.335 0.588 . . . . 73.12 110.763 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.5 p -94.29 105.55 17.54 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.404 0.621 . . . . 73.1 111.084 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -54.55 -23.34 16.21 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.289 0.848 . . . . 72.22 113.289 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 pttp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.859 0.361 . . . . 73.31 111.517 179.48 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 CA--C 1.543 0.941 0 N-CA-C 113.45 0.519 . . . . 63.12 113.45 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.0 mp -93.08 102.5 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.237 -0.438 . . . . 61.52 111.341 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.99 111.74 22.7 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.042 0.449 . . . . 74.01 110.07 177.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.39 116.06 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 116.144 -0.48 . . . . 64.24 111.929 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.46 25.83 13.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.384 0.883 . . . . 42.01 113.384 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.08 -2.56 35.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.121 -0.561 . . . . 62.32 113.255 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -111.07 111.94 23.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.055 0.455 . . . . 53.12 111.186 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -92.42 133.13 36.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.01 -0.541 . . . . 55.12 111.471 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.508 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 73.2 m-85 -129.79 129.93 44.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.069 -0.514 . . . . 71.4 111.075 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.69 -37.22 76.53 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.146 0.425 . . . . 74.4 112.146 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.99 173.68 8.98 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.199 0.523 . . . . 70.21 111.635 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -43.23 65.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.184 -0.462 . . . . 54.2 111.22 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.15 -28.37 52.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.022 -0.536 . . . . 65.15 112.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.508 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 98.3 m-20 -61.45 -57.72 11.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.271 -0.422 . . . . 64.34 111.759 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.61 81.98 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.089 0.471 . . . . 34.43 111.345 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD22 ' HA ' ' A' ' 93' ' ' LYS . 80.6 mt -61.19 -42.71 99.06 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.016 -0.538 . . . . 71.13 111.19 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.345 -0.389 . . . . 51.1 111.295 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.09 -51.27 64.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.035 0.445 . . . . 64.21 111.275 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.49 -39.69 92.2 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.558 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -62.03 -37.02 83.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.923 0.342 . . . . 71.44 111.923 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 22' ' ' ALA . 89.2 t -61.38 -60.41 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.715 0.293 . . . . 63.15 111.311 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.413 ' O ' ' HD2' ' A' ' 31' ' ' TYR . 26.9 ptt? -62.33 -32.6 73.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.738 0.304 . . . . 72.11 111.347 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.77 -46.41 81.49 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.072 0.463 . . . . 54.32 110.99 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -80.77 -3.2 50.07 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.824 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.6 tmt_? -83.68 -44.09 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.735 -0.468 . . . . 74.35 109.735 174.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.549 ' HB2' HG21 ' A' ' 68' ' ' VAL . 94.1 m-85 -80.77 144.48 32.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.012 0.434 . . . . 75.13 110.889 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 47.0 mtm180 -96.89 163.47 20.08 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.66 -0.245 . . . . 74.32 110.666 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 45.3 Cg_exo -56.69 76.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.636 2.224 . . . . 64.24 113.083 177.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 155.08 -21.0 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 CA-C-N 115.274 -0.875 . . . . 61.01 113.81 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.05 142.96 41.65 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.228 0.537 . . . . 34.24 111.936 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -90.5 132.83 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.979 -0.555 . . . . 75.11 111.344 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.18 140.04 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 73.11 111.587 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -66.39 169.36 7.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.068 0.461 . . . . 73.02 112.1 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -64.87 -51.04 64.17 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.192 -0.458 . . . . 73.24 112.194 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.55 -49.81 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 121.091 0.472 . . . . 64.23 111.137 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.54 -45.63 69.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.966 -0.561 . . . . 72.41 111.128 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -63.89 -42.19 98.48 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 115.986 -0.552 . . . . 73.22 113.048 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.75 74.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.05 0.453 . . . . 71.13 111.117 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.04 -45.97 91.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.129 -0.487 . . . . 62.24 110.294 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.1 -38.24 88.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.941 -0.572 . . . . 72.5 111.862 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' GLY . 89.7 t -62.06 -51.19 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 120.732 0.301 . . . . 70.43 111.189 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.27 -38.51 89.59 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.879 0.371 . . . . 55.3 111.099 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.45 80.81 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.171 0.51 . . . . 75.35 111.144 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.99 -42.96 75.82 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.035 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -55.1 -29.7 58.17 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.118 0.784 . . . . 62.02 113.118 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -86.89 22.13 2.08 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.891 -0.505 . . . . 74.41 111.725 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -116.54 143.63 31.63 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 122.676 0.39 . . . . 62.4 110.163 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.56 -47.18 26.95 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.536 2.157 . . . . 73.13 113.583 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.46 15.87 3.45 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.427 0.528 . . . . 50.41 112.427 -176.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.8 -65.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.242 0.46 . . . . 43.33 112.242 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -52.19 -36.68 52.56 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.269 0.47 . . . . 55.51 112.269 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.5 m -65.57 -29.69 70.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.791 0.329 . . . . 53.12 111.652 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.544 ' HD2' ' HG2' ' A' ' 88' ' ' GLU . 72.4 mmtt -99.47 -12.7 19.97 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.158 0.429 . . . . 73.21 112.158 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.9 mt -86.23 -45.99 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.991 0.424 . . . . 72.22 110.782 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.29 -114.8 6.83 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 116.14 -0.482 . . . . 61.15 113.071 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -76.46 -22.59 12.22 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.589 2.193 . . . . 61.44 112.92 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.83 159.72 8.97 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.279 -0.486 . . . . 61.15 113.245 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 126.89 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.972 0.415 . . . . 73.05 111.271 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.14 -53.67 5.36 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.007 0.432 . . . . 54.44 109.967 178.279 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -167.82 -173.31 2.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.992 0.425 . . . . 75.52 111.08 174.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -123.52 143.76 49.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.495 -0.32 . . . . 74.42 110.987 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -121.83 135.64 54.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.728 0.299 . . . . 71.33 110.621 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.549 HG21 ' HB2' ' A' ' 31' ' ' TYR . 86.9 t -91.94 121.54 42.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 64.45 111.947 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 87.3 mtt180 -137.04 -167.72 2.14 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.599 . . . . 74.22 110.625 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 121.028 0.442 . . . . 61.21 111.531 177.802 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.009 0.433 . . . . 73.11 111.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.0 t -144.18 149.42 36.42 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.048 0.452 . . . . 73.51 111.705 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -85.81 126.99 34.44 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.662 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.452 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 38.6 m95 -101.82 125.1 48.42 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.961 0.41 . . . . 62.44 111.127 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.46 105.8 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.167 -0.47 . . . . 72.45 111.533 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -85.96 101.07 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.143 0.497 . . . . 72.3 110.063 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 39.5 mtm180 -80.15 152.66 29.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 74.54 111.734 -176.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.1 p -61.04 -19.82 61.83 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.382 0.61 . . . . 73.41 110.85 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.21 -35.91 62.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.207 -0.906 . . . . 73.14 111.788 172.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.84 -24.03 10.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 62.31 112.794 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -92.71 163.36 13.78 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.415 0.626 . . . . 63.22 111.981 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.559 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.9 pt-20 -118.18 158.63 24.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.905 -0.588 . . . . 74.41 112.298 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.544 ' HG2' ' HD2' ' A' ' 58' ' ' LYS . 9.0 tp10 -139.9 162.96 33.93 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.019 -0.537 . . . . 72.54 110.711 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -130.8 130.69 44.0 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.755 0.312 . . . . 74.24 111.747 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -130.39 126.38 36.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.181 0.515 . . . . 75.12 111.713 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -74.41 92.07 2.29 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.95 0.405 . . . . 63.51 111.292 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -45.34 -40.57 7.99 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.838 1.051 . . . . 71.54 113.838 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.523 ' HA ' HD22 ' A' ' 21' ' ' LEU . 62.9 pttt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 113.572 0.953 . . . . 75.24 113.572 -172.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 CA--C 1.536 0.62 0 CA-C-O 120.741 0.226 . . . . 72.5 111.554 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -70.84 91.53 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.064 0.459 . . . . 72.1 110.917 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -95.9 113.5 25.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.792 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -129.67 120.4 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.528 -0.306 . . . . 63.32 111.446 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.6 31.28 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.838 0.681 . . . . 54.22 112.838 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.95 27.18 29.46 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.15 -0.548 . . . . 75.03 113.084 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -132.76 114.07 13.69 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.591 -0.359 . . . . 72.43 110.328 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 124.28 41.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.246 0.546 . . . . 50.4 111.855 -176.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.52 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 96.7 m-85 -115.97 149.63 38.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.97 0.414 . . . . 74.45 111.714 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.13 -25.12 37.16 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.672 0.619 . . . . 75.52 112.672 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 10.1 tpp180 -145.18 153.41 41.34 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.692 -0.231 . . . . 72.33 110.798 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 22.0 tptm -56.78 -44.92 82.32 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.876 -0.515 . . . . 74.52 111.058 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -23.37 67.3 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.301 -0.409 . . . . 60.03 111.944 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 25.8 t0 -69.1 -42.89 75.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.104 0.478 . . . . 73.45 110.541 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.89 95.4 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.147 0.499 . . . . 71.23 111.064 174.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 84.6 mt -60.8 -41.97 96.67 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.969 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.14 -47.01 86.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.222 -0.445 . . . . 65.01 111.44 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -55.7 -49.76 72.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.875 0.369 . . . . 73.43 111.195 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -60.37 -37.87 82.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.442 -0.344 . . . . 73.21 111.39 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.38 -38.67 91.83 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.803 0.335 . . . . 75.12 111.241 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 22' ' ' ALA . 80.3 t -57.9 -59.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.451 -0.34 . . . . 70.34 111.198 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.477 ' O ' ' HD1' ' A' ' 31' ' ' TYR . 27.0 ptt? -63.84 -31.15 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.857 -0.337 . . . . 65.21 111.24 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 HG13 ' A' ' 68' ' ' VAL . 52.4 tp -57.36 -44.34 84.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.105 0.479 . . . . 72.41 110.815 174.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.545 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -77.66 -16.6 58.41 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.131 -0.486 . . . . 75.32 111.508 177.667 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -70.15 -43.43 70.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.458 -0.337 . . . . 61.32 110.207 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.604 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 81.6 m-85 -89.03 157.97 18.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.963 0.411 . . . . 75.03 111.064 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.576 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 7.3 mpt_? -97.6 158.37 33.16 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-N 116.659 -0.246 . . . . 74.21 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.39 79.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.741 2.294 . . . . 65.24 112.659 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.09 -8.32 0.92 Allowed Glycine 0 CA--C 1.529 0.957 0 CA-C-N 114.472 -1.24 . . . . 74.0 113.062 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 18.4 m-20 -82.16 139.82 34.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.386 0.613 . . . . 73.54 111.87 -178.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -80.36 131.46 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.063 -0.517 . . . . 72.01 110.972 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.42 128.39 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 120.749 0.309 . . . . 72.32 110.957 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -63.53 169.78 3.62 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.59 0.589 . . . . 73.14 112.59 -175.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.0 m -53.99 -61.39 2.34 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.841 0.682 . . . . 63.14 112.841 -175.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.09 -49.4 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.027 0.442 . . . . 72.4 111.533 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.89 -44.91 70.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.87 -0.605 . . . . 74.41 111.343 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.533 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -67.22 -44.71 85.52 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.9 -0.591 . . . . 75.42 112.881 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.26 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.112 0.482 . . . . 41.03 111.267 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.32 -51.16 70.71 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.586 -0.734 . . . . 74.32 110.955 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.06 -36.99 78.54 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.009 -0.542 . . . . 63.31 112.062 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 42' ' ' GLY . 66.3 t -58.97 -50.69 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.856 0.36 . . . . 72.32 111.391 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.45 -39.97 92.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.953 0.406 . . . . 74.23 110.989 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.7 74.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.24 -0.436 . . . . 63.11 111.216 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.27 -44.51 71.75 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.15 -0.477 . . . . 70.52 111.25 177.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HE3' HG12 ' A' ' 46' ' ' VAL . 98.9 mttt -57.41 -24.01 52.88 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.219 0.452 . . . . 72.31 112.219 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -95.15 23.89 5.37 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.262 0.467 . . . . 74.43 112.262 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -100.14 149.82 36.35 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-N 116.59 -0.277 . . . . 64.33 110.959 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.87 -48.7 19.83 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.629 2.22 . . . . 53.35 112.6 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -104.33 66.67 0.82 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.361 0.601 . . . . 63.51 110.817 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.43 -37.08 25.97 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.953 175.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.1 t -50.64 -47.08 58.59 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.897 0.703 . . . . 75.0 112.897 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -22.16 44.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.989 0.366 . . . . 62.21 111.989 -175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -86.36 -23.53 26.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.835 0.35 . . . . 75.42 111.34 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -98.6 -69.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.904 0.383 . . . . 73.03 111.278 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.49 -114.69 4.53 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 121.255 -0.497 . . . . 73.33 112.638 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 49.1 Cg_endo -68.44 -35.71 17.25 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.445 2.097 . . . . 75.23 113.079 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.68 165.73 18.05 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.124 -0.56 . . . . 70.24 113.086 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 129.56 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 122.526 -0.396 . . . . 63.31 111.308 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -83.47 -52.21 6.7 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.356 -0.384 . . . . 72.31 110.09 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -175.13 178.3 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.918 0.389 . . . . 73.41 110.957 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.77 143.61 46.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.858 0.361 . . . . 72.15 110.718 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -127.81 127.68 43.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.822 0.344 . . . . 61.53 111.28 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 31' ' ' TYR . 88.0 t -76.3 102.31 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.298 0.57 . . . . 62.35 109.74 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.672 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 33.3 ttt180 -136.76 156.55 48.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.878 -0.601 . . . . 52.14 111.347 -167.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.857 0.688 . . . . 72.22 112.857 -174.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 CA--C 1.54 0.574 0 CA-C-O 120.831 0.348 . . . . 73.53 111.705 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -148.55 159.27 44.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.937 0.399 . . . . 74.3 111.162 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -87.36 115.3 24.68 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.916 0.389 . . . . 72.33 111.17 176.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.672 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 25.5 m95 -95.43 132.47 40.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.016 0.436 . . . . 73.03 111.49 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.08 112.08 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 116.042 -0.527 . . . . 71.3 111.403 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -88.19 124.38 33.77 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.58 -0.526 . . . . 54.11 109.58 172.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -106.42 146.09 30.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.056 0.455 . . . . 74.4 112.099 -174.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -66.21 -19.69 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.361 0.504 . . . . 72.15 112.361 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.563 ' HB3' ' HG3' ' A' ' 61' ' ' PRO . 3.1 p30 -75.72 -25.27 56.48 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.272 -0.268 . . . . 73.51 111.706 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.34 -9.19 8.33 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 121.062 -0.589 . . . . 64.54 113.959 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 m -89.55 152.57 21.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 117.367 0.584 . . . . 65.23 111.862 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.12 141.29 40.18 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.022 0.439 . . . . 74.42 111.545 175.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -145.61 -178.41 6.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.018 0.437 . . . . 73.43 111.216 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -129.4 133.41 47.35 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.318 -0.401 . . . . 75.1 110.686 173.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -107.42 125.07 50.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.174 0.511 . . . . 73.31 111.73 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.8 m -74.37 76.7 1.88 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.071 0.462 . . . . 72.13 111.38 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -55.16 -36.38 65.77 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.046 0.45 . . . . 75.2 111.949 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.6 pttt . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 112.693 0.627 . . . . 64.1 112.693 -178.831 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo . . . . . 0 CA--C 1.536 0.6 0 CA-C-O 120.896 0.29 . . . . 65.01 112.254 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.4 mp -71.99 93.63 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 120.986 0.422 . . . . 74.42 110.826 -175.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -105.76 109.13 20.98 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.002 0.429 . . . . 64.43 110.656 179.32 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.11 116.76 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 111.991 0.367 . . . . 73.12 111.991 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.06 23.2 12.44 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.054 0.761 . . . . 53.24 113.054 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.49 27.88 9.49 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.228 -0.511 . . . . 74.25 112.501 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 82.6 m-70 -137.64 106.04 5.8 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.418 0.287 . . . . 71.24 110.851 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.0 134.12 34.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.092 0.472 . . . . 72.41 111.772 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 94.4 m-85 -124.99 143.03 51.11 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.006 0.431 . . . . 72.3 111.365 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -40.13 72.18 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.579 0.585 . . . . 74.31 112.579 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.17 166.46 23.34 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.115 -0.366 . . . . 74.33 111.323 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -59.15 -46.46 88.31 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.996 0.427 . . . . 72.12 111.681 -175.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.2 -19.52 65.4 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.307 -0.406 . . . . 75.41 111.84 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 44.8 t0 -66.32 -41.4 89.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.206 0.527 . . . . 72.14 110.613 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.75 60.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.927 -0.579 . . . . 71.34 111.42 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.29 -36.15 81.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.373 -0.376 . . . . 62.1 111.358 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.2 -51.96 67.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.399 -0.364 . . . . 53.45 110.425 173.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -50.37 -47.85 55.97 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.986 -0.552 . . . . 61.33 111.408 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 62.9 mtt -58.29 -51.39 69.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.12 0.486 . . . . 51.44 111.313 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -64.89 -35.58 81.61 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.179 -0.464 . . . . 61.01 111.808 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 22' ' ' ALA . 70.1 t -66.44 -53.28 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 111.636 0.235 . . . . 72.53 111.636 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -65.66 -28.19 68.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 120.916 -0.313 . . . . 73.22 111.118 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -58.28 -53.35 59.24 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.078 0.466 . . . . 73.42 111.137 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.66 -9.51 50.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.684 0.624 . . . . 71.24 112.684 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 4.0 tmt_? -68.53 -36.33 78.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.162 0.506 . . . . 73.21 109.94 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' HB2' HG21 ' A' ' 68' ' ' VAL . 56.0 m-85 -93.71 166.41 12.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.911 -0.586 . . . . 70.35 110.678 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.559 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 2.7 mpt_? -103.05 159.35 29.56 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 109.681 -0.488 . . . . 71.15 109.681 174.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -63.14 23.24 0.05 OUTLIER 'Trans proline' 0 CA--C 1.553 1.437 0 C-N-CA 122.974 2.449 . . . . 72.22 115.004 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.99 11.35 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 122.054 -0.403 . . . . 62.24 112.691 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -105.85 161.28 14.57 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.581 0.705 . . . . 75.43 112.458 -177.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mm -97.85 141.39 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 115.493 -0.776 . . . . 72.12 110.647 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.74 140.4 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.517 -0.31 . . . . 71.04 111.278 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -62.39 166.12 5.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.083 0.468 . . . . 64.41 112.181 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -59.78 -52.94 63.3 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.175 -0.466 . . . . 75.21 112.255 -176.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.87 -53.24 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 121.172 0.51 . . . . 74.42 111.604 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.5 -45.64 69.74 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.92 -0.582 . . . . 72.14 111.18 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -64.14 -41.81 98.27 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 116.077 -0.511 . . . . 74.42 112.756 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.67 76.05 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.008 0.432 . . . . 63.24 111.287 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.62 -46.47 90.16 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.896 -0.593 . . . . 62.32 110.765 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.33 -41.72 97.49 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.041 -0.527 . . . . 73.1 111.896 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.49 HG12 ' HE3' ' A' ' 50' ' ' LYS . 64.9 t -57.52 -52.22 59.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-O 120.969 0.414 . . . . 72.43 111.105 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -65.69 -34.6 78.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.838 0.351 . . . . 74.12 111.265 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.8 97.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.194 0.521 . . . . 72.11 110.875 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 80' ' ' ILE . 67.9 tp -63.39 -43.39 97.73 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.954 -0.567 . . . . 73.31 110.654 174.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.5 mttt -61.19 -11.85 10.7 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.657 0.614 . . . . 73.45 112.657 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -77.04 0.42 21.39 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.976 0.417 . . . . 61.31 110.975 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -115.73 133.84 22.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.337 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.39 -13.15 31.08 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.235 1.957 . . . . 74.35 112.741 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.06 -2.79 58.89 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.86 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.78 70.2 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.19 0.441 . . . . 70.11 112.19 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -47.57 -34.08 7.28 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.587 0.588 . . . . 62.31 112.587 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -67.09 -44.74 79.25 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.012 0.434 . . . . 72.41 111.212 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.478 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 66.4 mttm -82.14 -26.49 33.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.167 -0.469 . . . . 65.03 112.12 -176.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.6 mt -83.04 -47.73 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 120.889 0.376 . . . . 63.02 111.426 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.22 -113.38 4.75 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.336 -0.459 . . . . 61.41 113.194 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.14 -26.88 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.473 2.115 . . . . 74.11 112.745 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.3 164.44 12.35 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.006 -0.616 . . . . 72.31 113.175 -178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.48 118.1 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.953 0.406 . . . . 74.33 111.145 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -68.8 -54.12 17.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.104 0.478 . . . . 73.33 110.544 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -174.54 -173.94 0.79 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.713 -0.676 . . . . 63.1 110.843 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 80' ' ' ILE . 70.4 m-85 -121.84 139.95 52.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.82 0.343 . . . . 62.15 111.178 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -112.26 136.87 51.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.853 0.359 . . . . 73.12 110.876 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.0 t -87.45 109.21 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.032 -0.358 . . . . 75.01 110.032 175.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -129.8 150.25 51.19 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.652 0.263 . . . . 63.14 111.025 -176.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 120.753 0.311 . . . . 40.53 110.834 178.162 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.099 0.476 . . . . 52.44 111.596 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 87.4 m -147.33 149.83 33.58 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.313 -0.403 . . . . 50.22 110.971 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -86.03 123.45 31.36 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.905 0.384 . . . . 73.21 111.83 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 53.4 m95 -104.55 128.63 52.57 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.207 0.527 . . . . 64.13 111.507 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.468 HG12 ' CE2' ' A' ' 66' ' ' PHE . 30.4 mt -85.44 103.5 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.74 -0.663 . . . . 71.12 111.376 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.82 111.01 16.88 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.962 -0.461 . . . . 51.33 110.229 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -83.48 149.52 26.58 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.863 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -67.79 -13.68 62.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.653 0.612 . . . . 73.01 112.653 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -78.62 -32.18 47.35 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 122.217 -0.302 . . . . 63.14 111.568 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.22 -8.4 5.08 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.099 -0.572 . . . . 70.13 113.699 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.9 t -90.54 147.86 23.08 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.556 -0.379 . . . . 64.4 111.851 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -107.18 109.35 21.15 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.485 0.659 . . . . 71.51 111.495 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' A' ' 58' ' ' LYS . 10.0 tp10 -95.04 170.41 9.43 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.341 -0.845 . . . . 74.43 110.581 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 13.0 ptm180 -146.41 165.44 29.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.886 -0.509 . . . . 73.31 111.366 173.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -151.23 141.61 22.44 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.055 0.455 . . . . 74.43 111.391 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -84.76 84.02 7.83 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.863 0.363 . . . . 63.53 110.924 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -51.84 -44.13 63.46 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.849 0.357 . . . . 63.51 111.914 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.403 ' H ' ' HG3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 113.122 0.786 . . . . 75.14 113.122 -177.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 CA-C-O 120.821 0.259 . . . . 73.53 111.56 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 2.4 mp -71.0 107.61 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.877 0.37 . . . . 71.34 111.121 -176.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 5.3 tm-20 -97.99 124.15 42.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.34 -0.391 . . . . 75.22 111.07 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.4 mt -137.46 109.6 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.403 -0.362 . . . . 75.13 110.584 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.67 30.3 19.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.465 0.543 . . . . 74.25 112.465 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.0 -4.03 65.11 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 121.141 -0.552 . . . . 41.43 113.21 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 66.5 m-70 -95.56 131.47 41.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 122.366 -0.491 . . . . 73.32 110.907 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.56 132.88 53.72 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.348 0.594 . . . . 73.34 111.274 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.558 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 76.2 m-85 -122.41 141.23 51.81 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.189 -0.459 . . . . 70.45 111.604 -178.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.25 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.271 0.471 . . . . 55.04 112.271 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 166.31 24.64 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.823 0.344 . . . . 73.44 111.55 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -53.83 -47.31 71.05 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.092 0.472 . . . . 72.13 111.468 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -26.45 68.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.117 -0.492 . . . . 73.13 112.223 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 43.5 t0 -65.89 -36.74 84.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.233 0.54 . . . . 71.21 110.578 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -46.85 52.57 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.107 -0.497 . . . . 55.03 111.495 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.56 -44.7 95.67 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.067 -0.515 . . . . 72.23 111.443 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.46 -38.56 87.69 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.27 -0.423 . . . . 64.12 111.553 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.05 -49.57 73.36 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.032 0.444 . . . . 73.21 110.955 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.08 -39.8 93.66 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.12 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.6 -44.42 93.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.464 -0.335 . . . . 71.52 111.038 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 22' ' ' ALA . 89.3 t -56.94 -57.67 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 111.726 0.269 . . . . 72.23 111.726 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -65.59 -34.2 77.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.886 -0.326 . . . . 64.52 111.296 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.42 -46.42 80.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.322 0.582 . . . . 63.32 110.611 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.582 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -76.67 -10.48 59.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.689 -0.687 . . . . 51.23 111.441 178.795 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -77.65 -41.76 37.18 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 120.891 0.377 . . . . 72.33 110.121 176.284 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.466 ' HB2' HG21 ' A' ' 68' ' ' VAL . 97.3 m-85 -80.88 170.07 16.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.105 0.479 . . . . 73.42 111.365 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 32' ' ' ARG . 6.7 mpt_? -107.76 153.16 41.69 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 116.573 -0.285 . . . . 73.44 110.788 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.87 78.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.651 2.234 . . . . 65.22 112.405 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.35 -17.94 0.16 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 114.785 -1.098 . . . . 45.03 113.45 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -83.92 157.01 22.09 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.962 0.727 . . . . 54.2 112.962 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.455 HD12 ' ND2' ' A' ' 65' ' ' ASN . 51.0 mm -96.13 134.53 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.214 -0.903 . . . . 75.51 110.266 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.47 139.55 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 112.097 0.406 . . . . 73.43 112.097 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.6 t -56.23 165.03 1.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.537 0.569 . . . . 64.54 112.537 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 84.9 m -58.36 -56.27 24.24 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.488 0.551 . . . . 52.14 112.488 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.4 -48.38 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 120.957 0.408 . . . . 73.34 111.496 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.19 -35.46 80.4 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.174 0.511 . . . . 73.14 111.149 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -65.75 -41.96 95.48 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 116.113 -0.494 . . . . 34.51 112.345 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.06 74.6 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.12 0.486 . . . . 62.42 110.896 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.17 -47.7 82.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.95 -0.568 . . . . 74.44 110.526 173.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.35 -38.48 91.32 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.085 -0.507 . . . . 74.12 112.046 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 42' ' ' GLY . 98.3 t -55.79 -49.49 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.918 0.39 . . . . 64.11 110.994 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.96 -46.31 82.07 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.801 0.334 . . . . 75.22 111.492 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.478 -0.328 . . . . 75.3 111.477 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -78.48 -57.47 3.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.153 -0.476 . . . . 63.12 111.763 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -49.0 -31.06 6.84 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.999 0.74 . . . . 72.51 112.999 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -86.1 20.54 2.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.44 0.533 . . . . 72.23 112.44 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -111.9 140.94 23.91 Favored Pre-proline 0 N--CA 1.471 0.596 0 N-CA-C 110.157 -0.312 . . . . 74.43 110.157 170.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.82 -37.17 57.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 121.972 1.782 . . . . 72.13 111.502 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.83 54.15 3.01 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.746 -0.661 . . . . 74.35 111.226 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.51 -40.14 1.8 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.36 0.504 . . . . 74.53 112.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -44.48 -48.58 10.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.544 0.942 . . . . 73.43 113.544 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.1 p -74.31 -26.58 60.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.013 0.435 . . . . 74.43 111.556 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -78.16 -30.17 49.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.211 -0.45 . . . . 71.13 111.162 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -79.36 -48.89 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 71.22 111.177 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.71 -128.29 32.05 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 121.021 -0.609 . . . . 51.34 112.786 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.95 -11.33 23.52 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.516 2.144 . . . . 72.33 113.038 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.33 164.4 10.93 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.776 -0.726 . . . . 64.51 113.913 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG11 ' CE2' ' A' ' 66' ' ' PHE . 69.2 t -96.13 124.24 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.835 0.35 . . . . 74.14 111.078 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.546 ' HD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -85.64 -50.79 6.93 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.008 0.432 . . . . 73.24 110.359 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.546 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 3.3 p-10 -162.3 156.48 21.54 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.012 0.434 . . . . 61.22 111.977 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 63' ' ' VAL . 86.3 m-85 -103.62 126.63 50.88 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.454 -0.339 . . . . 70.11 110.752 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -109.1 137.69 46.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.882 0.372 . . . . 75.11 111.332 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 31' ' ' TYR . 97.9 t -87.67 121.07 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.787 0.327 . . . . 73.15 110.585 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 35.0 ttm180 -135.98 158.15 45.11 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.735 -0.211 . . . . 73.42 110.851 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 120.715 0.293 . . . . 61.0 111.304 179.831 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 121.097 0.475 . . . . 41.13 112.075 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 41.9 t -153.17 159.95 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.961 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.12 134.94 34.11 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 120.859 0.362 . . . . 73.14 111.204 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.466 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 35.6 m95 -114.94 125.67 53.89 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.431 0.634 . . . . 75.01 111.908 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.36 99.11 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.43 -0.804 . . . . 71.31 111.515 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.1 mm? -83.55 101.81 11.71 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.689 -0.486 . . . . 74.23 109.689 172.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 86' ' ' SER . 1.2 mtp85 -78.76 158.11 28.32 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.999 -0.546 . . . . 64.01 112.181 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -67.29 -19.31 65.47 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.897 0.856 . . . . 74.32 109.86 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.71 -20.41 63.46 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.883 -1.053 . . . . 73.44 111.338 170.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.19 -40.88 2.27 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.203 -0.522 . . . . 72.35 112.444 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 26.9 m -66.1 144.51 56.65 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.772 0.32 . . . . 63.53 111.284 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.7 pt-20 -99.25 159.44 14.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.96 0.41 . . . . 75.05 111.038 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.43 169.72 20.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 62.22 110.478 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -143.26 160.22 40.88 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.088 -0.383 . . . . 73.12 111.327 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -143.35 124.0 14.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.207 0.527 . . . . 65.15 111.828 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 m -79.2 76.21 5.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.139 0.495 . . . . 43.44 110.76 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -53.15 -30.82 39.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.579 0.955 . . . . 65.23 113.579 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 pttm . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 112.634 0.605 . . . . 73.24 112.634 -175.35 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo . . . . . 0 CA--C 1.539 0.758 0 CA-C-O 120.924 0.302 . . . . 74.01 112.723 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -75.1 96.1 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.187 0.517 . . . . 43.42 110.071 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.4 tt0 -96.0 100.45 12.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.115 -0.493 . . . . 54.44 111.339 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -111.45 116.13 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 111.97 0.359 . . . . 62.34 111.97 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.86 31.73 20.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.339 0.496 . . . . 54.02 112.339 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.74 -16.73 58.34 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.046 -0.597 . . . . 74.35 113.254 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -87.44 103.82 15.87 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 70.14 110.748 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 5.6 pt-20 -90.88 98.9 12.05 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.137 0.494 . . . . 71.45 112.108 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -91.15 114.38 26.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.385 -0.37 . . . . 74.34 111.017 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.78 5.37 1.52 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.73 0.641 . . . . 72.32 112.73 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -165.04 143.49 6.43 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.783 0.325 . . . . 62.14 111.197 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.633 ' HE3' HD21 ' A' ' 21' ' ' LEU . 53.9 tptt -56.11 -44.31 78.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.762 0.315 . . . . 74.34 111.178 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.39 73.31 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.29 -0.414 . . . . 75.22 111.948 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -66.3 -43.13 87.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.059 0.457 . . . . 72.33 110.332 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.97 90.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.048 -0.524 . . . . 63.13 111.331 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.633 HD21 ' HE3' ' A' ' 17' ' ' LYS . 89.1 mt -59.21 -44.2 92.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.181 -0.463 . . . . 44.53 111.53 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.31 -53.77 54.31 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.429 -0.351 . . . . 63.32 111.125 176.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -53.74 -50.08 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.845 0.355 . . . . 60.44 111.658 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.518 ' SD ' ' HB2' ' A' ' 92' ' ' TYR . 66.1 mtt -57.04 -46.74 82.19 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.948 0.404 . . . . 71.43 111.141 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -40.26 96.73 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.157 -0.474 . . . . 61.12 110.894 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' ALA . 72.0 t -59.04 -54.14 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 111.748 0.277 . . . . 51.45 111.748 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -70.37 -27.31 64.22 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.896 0.379 . . . . 74.11 111.253 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD12 HG13 ' A' ' 68' ' ' VAL . 54.1 tp -61.63 -41.7 97.85 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.234 0.54 . . . . 72.43 110.617 174.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -85.35 -7.44 58.97 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.959 -0.564 . . . . 75.03 111.896 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -74.6 -49.68 20.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.014 0.435 . . . . 71.33 110.209 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -72.67 140.68 48.07 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 72.42 110.89 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -86.77 159.74 51.48 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.021 -0.536 . . . . 74.55 110.649 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.94 -1.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.355 2.703 . . . . 71.14 115.546 -176.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -131.72 17.62 4.94 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.158 -0.544 . . . . 61.23 113.407 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -99.66 129.59 45.81 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.339 0.59 . . . . 63.31 112.027 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.6 mm -81.17 133.85 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.74 -0.664 . . . . 73.12 110.585 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.3 136.4 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.326 -0.397 . . . . 65.34 111.782 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -64.56 171.54 3.2 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.234 -0.439 . . . . 72.54 112.155 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.3 m -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.805 0.336 . . . . 71.34 111.728 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.83 -60.8 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.903 0.383 . . . . 44.12 111.192 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 44' ' ' PHE . 4.8 m-20 -57.95 -36.13 72.11 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.293 0.568 . . . . 55.31 110.971 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.78 -48.49 83.68 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-N 115.959 -0.564 . . . . 71.15 112.591 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.54 -40.05 71.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.027 0.442 . . . . 70.33 111.192 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 41' ' ' ASP . 68.2 t80 -54.17 -48.69 70.64 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.988 -0.551 . . . . 64.55 110.748 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.67 -34.98 79.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 111.792 178.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.64 HG12 ' HZ2' ' A' ' 50' ' ' LYS . 60.2 t -62.94 -43.23 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.944 0.402 . . . . 61.45 110.975 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -67.37 -41.89 84.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.063 0.459 . . . . 74.13 110.92 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.09 68.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.194 -0.457 . . . . 73.54 111.283 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 tp -79.22 -37.08 38.98 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.279 -0.419 . . . . 64.23 111.359 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.64 ' HZ2' HG12 ' A' ' 46' ' ' VAL . 61.9 mttp -60.89 -21.07 62.95 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -84.35 26.99 0.72 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.01 0.433 . . . . 71.12 111.812 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -123.96 145.5 48.12 Favored Pre-proline 0 N--CA 1.47 0.533 0 C-N-CA 122.396 0.278 . . . . 75.25 111.022 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.37 -16.85 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.93 1.754 . . . . 75.51 111.221 171.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 5.2 m-20 -98.36 12.66 34.17 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.342 -0.844 . . . . 63.43 111.385 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.97 -78.8 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.922 0.712 . . . . 51.25 112.922 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -63.19 -23.42 67.42 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.872 0.323 . . . . 45.05 111.872 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.2 t -64.37 -50.84 66.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.112 0.482 . . . . 63.42 111.294 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HD2' ' HG3' ' A' ' 88' ' ' GLU . 33.9 mmtp -71.37 -32.71 68.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 74.13 110.996 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.482 HG23 HG23 ' A' ' 63' ' ' VAL . 90.1 mt -63.92 -41.35 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.025 0.441 . . . . 64.25 110.958 173.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.38 -119.95 18.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.277 -0.487 . . . . 73.02 112.471 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 37.8 Cg_endo -66.36 -46.88 3.64 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.181 1.92 . . . . 73.53 112.02 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.48 154.22 10.74 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 115.951 -0.568 . . . . 73.22 112.697 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.482 HG23 HG23 ' A' ' 59' ' ' ILE . 58.6 t -84.65 126.26 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 122.591 -0.358 . . . . 64.52 111.238 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD3' HG22 ' A' ' 83' ' ' THR . 27.6 tpt180 -93.8 -49.61 5.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.03 0.443 . . . . 73.5 110.422 178.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -164.65 -174.56 3.46 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.964 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.85 150.12 50.46 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.142 -0.481 . . . . 70.03 110.502 175.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -123.56 142.05 51.4 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.868 0.366 . . . . 75.11 111.195 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.509 HG13 HD12 ' A' ' 28' ' ' LEU . 75.2 t -101.83 101.25 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.103 0.477 . . . . 74.5 110.719 175.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.494 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 15.3 ttm180 -126.12 146.55 49.89 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.94 0.4 . . . . 75.24 111.507 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 57.7 p . . . . . 0 N--CA 1.469 0.5 0 CA-C-N 116.331 -0.395 . . . . 61.33 110.597 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.8 mt-30 . . . . . 0 N--CA 1.469 0.509 0 CA-C-O 120.969 0.414 . . . . 63.42 111.522 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.521 ' SG ' ' NH2' ' A' ' 89' ' ' ARG . 91.3 m -148.25 152.51 37.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.424 -0.353 . . . . 72.2 111.063 175.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -85.55 113.8 22.08 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.896 0.379 . . . . 72.42 110.573 175.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.494 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 77.6 m95 -91.42 126.74 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 70.53 111.885 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 39.9 mt -82.75 103.84 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.966 -0.561 . . . . 73.45 111.057 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.14 100.64 12.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.044 0.449 . . . . 74.42 111.273 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.07 151.91 41.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.859 174.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.469 HG22 ' HD3' ' A' ' 64' ' ' ARG . 71.6 p -57.2 -33.18 67.23 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.633 0.73 . . . . 55.42 109.88 171.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 17.6 t70 -56.04 -30.25 61.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.764 -1.107 . . . . 71.31 112.334 173.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.91 -36.44 4.01 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.265 -0.493 . . . . 64.04 113.118 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -62.06 143.67 56.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.938 0.348 . . . . 75.02 111.938 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -119.05 158.42 25.86 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.149 0.5 . . . . 62.44 111.935 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.538 ' HG3' ' HD2' ' A' ' 58' ' ' LYS . 0.7 OUTLIER -146.23 139.24 25.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.285 -0.416 . . . . 74.3 110.102 178.399 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.521 ' NH2' ' SG ' ' A' ' 77' ' ' CYS . 11.5 ptm180 -106.0 103.82 13.4 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.997 -0.44 . . . . 74.53 112.063 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -91.04 130.6 36.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 75.25 111.605 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -82.01 102.29 10.87 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.15 0.5 . . . . 71.41 111.503 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.518 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 12.5 p90 -55.46 -29.52 58.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.795 -0.639 . . . . 71.21 112.648 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 pttm . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 112.271 0.471 . . . . 64.13 112.271 -178.125 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo . . . . . 0 CA--C 1.542 0.907 0 N-CA-C 113.962 0.716 . . . . 73.14 113.962 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.0 mp -76.11 108.3 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.523 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.0 OUTLIER -90.68 121.96 33.04 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.931 0.396 . . . . 55.15 111.284 -178.063 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -133.07 116.59 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.471 -0.331 . . . . 64.33 111.152 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.8 27.86 17.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.715 0.635 . . . . 71.11 112.715 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.48 0.5 61.01 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.41 -0.424 . . . . 45.12 113.47 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -114.46 111.5 21.51 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.669 -0.313 . . . . 71.23 110.904 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -91.58 136.08 33.39 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.215 0.531 . . . . 70.54 111.184 179.45 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.669 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 72.5 m-85 -116.72 118.17 31.81 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.162 -0.472 . . . . 72.2 111.042 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.92 -27.07 40.45 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.224 0.824 . . . . 75.31 113.224 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -139.17 154.32 48.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.862 0.363 . . . . 71.02 111.407 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -49.78 -48.14 50.71 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.029 -0.532 . . . . 74.31 112.114 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.96 67.59 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.92 0.711 . . . . 73.51 112.92 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 25.1 t0 -64.19 -37.34 87.11 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.139 0.495 . . . . 63.31 110.969 -177.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.63 98.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.208 0.528 . . . . 42.14 111.019 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.31 -39.22 93.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.798 -0.637 . . . . 73.31 110.715 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.74 98.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.058 -0.519 . . . . 62.03 111.268 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.0 -52.06 65.54 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.297 -0.41 . . . . 75.24 111.089 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.801 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 75.0 mtm -56.29 -24.34 42.45 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.588 0.588 . . . . 72.22 112.588 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -70.9 -48.58 52.88 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.999 -0.438 . . . . 75.03 110.987 170.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.48 -55.59 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 120.951 0.405 . . . . 72.02 111.331 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.801 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 11.7 ptm -58.79 -36.26 74.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.136 -0.484 . . . . 74.34 111.244 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.23 -39.91 82.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.852 0.358 . . . . 64.31 111.665 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.57 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -78.68 -16.4 57.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.151 0.5 . . . . 52.11 110.926 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.62 -38.45 86.98 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.018 -0.537 . . . . 63.25 111.419 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -93.71 161.67 14.24 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.296 0.569 . . . . 72.1 111.8 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.569 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 6.2 mpt_? -100.15 163.57 18.04 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 109.323 -0.621 . . . . 71.32 109.323 174.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 39.7 Cg_endo -64.96 20.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.548 1.223 0 C-N-CA 122.611 2.208 . . . . 70.32 114.894 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.96 10.43 2.57 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 121.273 -0.489 . . . . 35.0 113.373 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -96.57 161.95 13.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.563 0.697 . . . . 70.12 112.479 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -104.35 132.3 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.652 -0.704 . . . . 75.54 110.32 175.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.442 HG11 HD12 ' A' ' 45' ' ' LEU . 61.6 t -60.14 121.25 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.857 0.361 . . . . 74.43 111.103 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.0 m -62.16 173.27 1.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.213 0.53 . . . . 65.42 112.367 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.1 m -55.95 -55.7 29.55 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.193 0.812 . . . . 62.25 113.193 -173.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.91 -60.14 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.97 0.414 . . . . 71.42 111.749 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.168 -0.469 . . . . 53.12 111.413 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -63.99 -46.34 91.65 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 121.339 -0.458 . . . . 71.11 112.743 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.71 64.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.108 0.48 . . . . 63.55 111.232 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.44 -51.11 68.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.66 -0.7 . . . . 72.23 110.808 175.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 HD12 HG11 ' A' ' 37' ' ' VAL . 96.4 mt -59.52 -34.03 72.11 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.103 -0.499 . . . . 75.13 111.99 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 42' ' ' GLY . 91.4 t -57.89 -51.94 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.845 0.355 . . . . 65.01 110.932 176.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -66.28 -38.34 87.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.877 0.37 . . . . 74.22 110.943 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -57.57 -39.53 76.95 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.254 0.549 . . . . 70.13 110.887 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.4 tp -69.04 -55.79 9.74 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.088 -0.505 . . . . 70.01 110.925 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -50.75 -36.6 37.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 2.0 ptm180 -71.38 1.75 5.85 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.036 0.446 . . . . 70.34 112.146 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -94.04 133.83 26.94 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 122.462 0.305 . . . . 64.21 110.482 172.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.62 -12.1 26.73 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.904 2.403 . . . . 63.31 113.914 -175.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -122.08 26.87 8.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.168 0.508 . . . . 65.12 111.988 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -73.51 -51.87 15.53 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.474 -0.33 . . . . 44.11 111.219 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 t -45.07 -45.78 11.19 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.024 0.749 . . . . 74.53 113.024 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.4 t -57.62 -36.13 71.38 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.933 0.397 . . . . 65.22 111.931 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -100.91 5.62 43.36 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.173 0.434 . . . . 75.33 112.173 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' ALA . 69.8 mt -88.55 -46.06 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.79 0.328 . . . . 70.15 110.287 171.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.96 -117.82 10.58 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 114.889 0.716 . . . . 54.2 114.889 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.4 -4.11 14.89 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.086 2.524 . . . . 62.42 113.891 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.07 168.89 12.85 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 120.734 -0.746 . . . . 62.03 113.513 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.564 HG22 HH22 ' A' ' 82' ' ' ARG . 62.8 t -87.81 117.8 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.102 0.408 . . . . 73.3 112.102 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.667 HH11 ' ND2' ' A' ' 65' ' ' ASN . 2.1 tmt_? -79.53 -61.13 2.1 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 109.15 -0.685 . . . . 63.31 109.15 173.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.667 ' ND2' HH11 ' A' ' 64' ' ' ARG . 42.5 p30 -169.98 -173.44 1.56 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.02 0.438 . . . . 70.1 111.221 170.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -119.61 130.83 55.3 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.397 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -106.51 144.75 32.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.063 0.459 . . . . 51.43 111.846 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.52 96.63 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.07 -0.514 . . . . 72.15 109.862 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -104.98 158.1 16.77 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.954 0.407 . . . . 55.1 111.993 -173.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 112.966 0.728 . . . . 32.21 112.966 -177.126 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 120.51 0.195 . . . . 75.41 110.764 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.7 t -138.62 146.4 41.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.739 0.304 . . . . 34.32 111.491 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -84.47 129.53 34.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.842 0.353 . . . . 71.41 111.058 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -114.35 136.03 53.44 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.445 0.64 . . . . 72.41 111.973 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.7 mt -86.53 104.03 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.216 -0.902 . . . . 73.44 111.314 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.84 128.72 35.05 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.033 0.444 . . . . 64.03 111.032 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.564 HH22 HG22 ' A' ' 63' ' ' VAL . 5.9 mmp_? -102.93 144.31 31.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.252 -0.431 . . . . 74.14 110.756 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 p -55.96 -33.89 65.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.175 0.512 . . . . 74.01 111.206 177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.25 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.761 -0.654 . . . . 70.22 111.935 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.23 -31.59 1.16 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.097 -0.573 . . . . 74.42 113.127 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.1 m -75.45 112.28 11.61 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.565 -0.374 . . . . 61.21 111.403 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.9 153.85 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.244 0.545 . . . . 63.25 111.745 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -138.11 159.25 42.54 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.857 -0.611 . . . . 65.15 110.516 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -115.35 156.47 25.45 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.087 -0.383 . . . . 73.21 111.388 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.09 122.63 15.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 75.45 111.446 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.8 m -73.66 95.82 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.303 -0.408 . . . . 65.34 110.736 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -55.75 -27.73 52.26 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.66 0.615 . . . . 73.31 112.66 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 111.857 0.317 . . . . 74.34 111.857 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.727 0.299 . . . . 75.04 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.28 72.81 10.17 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.353 0.597 . . . . 63.25 111.057 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -140.63 127.56 20.64 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.991 -0.549 . . . . 54.12 111.11 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.84 89.22 3.45 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.098 0.475 . . . . 63.12 110.99 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -88.09 162.37 40.87 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.127 -0.488 . . . . 64.23 111.575 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.56 156.27 57.89 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.258 1.972 . . . . 75.11 112.683 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.2 mp -74.03 103.63 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.288 -0.415 . . . . 53.01 111.037 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -91.23 123.37 34.62 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.018 0.437 . . . . 72.02 111.625 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.75 113.03 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.004 -0.544 . . . . 70.22 110.354 173.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.01 28.63 18.41 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.965 0.412 . . . . 41.14 111.823 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.55 -22.36 40.61 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.403 -0.427 . . . . 74.14 113.17 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -75.09 117.35 16.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.539 -0.389 . . . . 74.3 110.614 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.04 104.63 16.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.308 0.575 . . . . 72.32 111.614 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.01 136.23 33.47 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.329 -0.396 . . . . 61.24 111.101 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.25 5.71 13.89 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.695 0.628 . . . . 71.05 112.695 -175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 19.6 tpp180 -163.61 150.18 11.93 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 122.245 -0.284 . . . . 62.54 111.375 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 97' ' ' LEU . 1.2 tmtp? -59.09 -45.55 90.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.9 0.381 . . . . 74.45 110.839 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.77 65.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.877 0.37 . . . . 65.42 111.828 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 37.9 t0 -69.06 -42.32 76.4 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.184 0.516 . . . . 61.41 110.538 177.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.84 96.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.15 -0.477 . . . . 50.33 111.363 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.91 -41.61 99.5 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.219 -0.446 . . . . 63.51 111.354 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -53.89 -51.6 63.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.233 -0.44 . . . . 71.14 111.607 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -51.77 -48.71 63.64 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.035 0.445 . . . . 71.42 111.536 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.95 -40.48 95.07 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.388 -0.369 . . . . 72.11 111.814 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -64.81 -37.65 88.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.706 0.288 . . . . 72.34 111.568 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 22' ' ' ALA . 96.4 t -57.61 -58.9 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.655 0.264 . . . . 53.13 111.681 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.645 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.1 ptt? -62.99 -40.64 98.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.957 -0.297 . . . . 75.31 111.083 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.41 -50.22 62.96 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.055 0.455 . . . . 70.0 111.45 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.6 -18.8 65.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.161 -0.472 . . . . 75.41 111.832 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -85.48 -7.87 58.66 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.056 0.391 . . . . 75.0 112.056 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -108.55 162.88 13.72 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.972 0.415 . . . . 75.23 111.236 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 80.6 mtm180 -105.74 163.47 17.01 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.476 -0.329 . . . . 62.24 110.33 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 49.7 Cg_endo -66.22 19.24 0.09 OUTLIER 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 122.724 2.283 . . . . 73.21 115.134 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.97 12.09 1.08 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.043 -0.599 . . . . 55.1 113.324 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.521 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -104.87 147.63 27.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.252 0.549 . . . . 60.54 112.017 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -85.93 135.76 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.885 -0.598 . . . . 75.22 111.232 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 141.62 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.294 -0.412 . . . . 73.53 111.463 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -59.89 153.48 20.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.824 0.345 . . . . 61.15 111.872 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.7 m -58.99 -37.47 76.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.794 0.331 . . . . 73.03 111.656 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.44 -52.53 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.045 0.45 . . . . 60.41 111.404 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.645 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 31.0 m-20 -65.88 -40.41 91.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.127 0.489 . . . . 54.0 110.809 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.514 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -57.55 -42.13 93.88 Favored Glycine 0 CA--C 1.525 0.663 0 CA-C-N 116.028 -0.533 . . . . 71.14 112.7 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -34.92 72.36 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.074 0.464 . . . . 74.35 111.413 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -68.29 -46.93 69.01 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.043 -0.526 . . . . 71.13 110.509 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.21 -40.56 81.95 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.622 -0.717 . . . . 74.14 111.998 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 42' ' ' GLY . 91.0 t -54.77 -53.42 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 120.811 0.339 . . . . 72.41 111.327 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -67.64 -35.85 79.66 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 120.879 0.371 . . . . 72.34 111.183 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.98 71.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.265 0.555 . . . . 74.34 110.997 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 tp -75.96 -53.13 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.092 -0.504 . . . . 71.51 110.824 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -53.71 -25.13 17.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.193 0.812 . . . . 70.51 113.193 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -78.45 13.92 1.42 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.184 0.439 . . . . 71.31 112.184 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -114.19 140.7 25.31 Favored Pre-proline 0 N--CA 1.47 0.537 0 C-N-CA 122.507 0.323 . . . . 71.11 110.795 175.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -23.28 68.14 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.509 2.139 . . . . 72.45 113.006 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 14.9 m-20 -81.38 3.15 25.42 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.206 0.447 . . . . 74.22 112.206 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.69 -57.45 2.3 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.999 0.741 . . . . 62.23 112.999 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.5 t -55.22 -40.69 71.11 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.239 0.459 . . . . 75.52 112.239 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 m -69.55 -40.45 76.81 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.808 0.337 . . . . 55.13 111.486 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 29.0 mmmt -71.3 -46.92 59.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.094 0.473 . . . . 74.14 111.377 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.91 -50.51 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.76 -0.654 . . . . 63.34 112.705 -174.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.96 -116.83 4.93 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.843 -0.694 . . . . 74.24 112.621 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.43 -21.53 6.27 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.507 2.138 . . . . 73.14 113.02 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.64 153.31 6.34 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.092 -0.575 . . . . 75.33 113.169 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -83.28 124.42 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 120.932 0.396 . . . . 74.22 111.089 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -91.61 -48.15 7.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.717 0.294 . . . . 62.21 110.697 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -167.66 175.66 6.88 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.904 0.383 . . . . 72.11 111.285 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.19 135.12 55.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.154 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -120.54 137.32 54.45 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.816 0.341 . . . . 50.24 111.058 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.38 114.81 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.662 0.268 . . . . 74.0 110.454 176.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -135.83 159.24 42.26 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.69 0.281 . . . . 73.41 110.48 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.8 p -62.21 136.16 57.81 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.096 0.474 . . . . 70.44 112.084 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.698 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -79.81 -56.05 4.55 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.165 0.507 . . . . 72.53 110.892 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.91 -72.43 0.46 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.145 -0.48 . . . . 63.24 111.767 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -138.47 105.36 5.4 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.404 -0.221 . . . . 75.14 110.404 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.47 -37.7 1.83 Allowed Glycine 0 CA--C 1.529 0.964 0 C-N-CA 121.167 -0.539 . . . . 51.45 113.249 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.5 p -60.7 142.61 55.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.781 0.432 . . . . 65.44 112.034 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -108.69 147.19 32.3 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.271 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 88.3 m -147.91 158.21 43.92 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.748 0.309 . . . . 74.02 111.236 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -89.81 125.15 35.21 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.178 0.513 . . . . 75.14 111.579 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -103.02 132.4 49.31 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.147 0.498 . . . . 64.41 111.557 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.5 mt -88.81 109.35 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.9 -0.591 . . . . 70.43 111.388 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -88.51 114.12 24.8 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.851 0.358 . . . . 72.43 110.26 175.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -79.32 154.6 28.96 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.225 0.536 . . . . 73.14 112.014 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.7 p -66.03 -19.38 65.83 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.125 -0.489 . . . . 63.13 112.171 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.18 -5.13 53.51 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 120.772 0.32 . . . . 72.21 111.815 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.16 4.3 56.51 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.373 -0.441 . . . . 64.25 113.576 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.1 m -95.75 -178.74 4.48 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.416 -0.461 . . . . 41.34 111.477 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.66 161.67 37.94 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.213 0.53 . . . . 73.03 111.937 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.79 169.09 21.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.94 -0.573 . . . . 75.35 110.663 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -133.3 142.67 48.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.628 0.252 . . . . 70.43 110.954 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -136.65 137.64 40.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.199 0.523 . . . . 72.51 111.38 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.1 m -83.63 95.03 8.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.191 -0.458 . . . . 52.23 111.26 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -51.31 -28.24 11.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.72 0.637 . . . . 71.41 112.72 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -51.46 -28.86 14.39 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.66 0.615 . . . . 75.3 112.66 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -100.82 40.22 1.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.823 0.344 . . . . 74.51 111.283 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.595 ' SG ' HG23 ' A' ' 96' ' ' VAL . 29.1 p -65.77 -35.41 80.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.724 0.297 . . . . 74.41 111.465 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.595 HG23 ' SG ' ' A' ' 95' ' ' CYS . 43.2 t -106.93 -85.3 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 116.282 -0.417 . . . . 74.14 111.957 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.403 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 66.1 mt -151.66 161.04 43.33 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 112.012 0.375 . . . . 75.32 112.012 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.91 -48.98 4.96 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.271 -0.422 . . . . 73.04 110.484 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.0 t60 54.43 48.97 19.38 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.043 -0.526 . . . . 75.32 112.185 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 65.58 -13.33 0.14 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.852 1.056 . . . . 61.42 113.852 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -75.17 -0.95 21.02 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.825 -0.547 . . . . 53.33 111.804 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -59.43 99.08 0.05 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.411 -0.588 . . . . 65.24 109.411 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -79.97 129.34 34.41 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.8 0.667 . . . . 73.03 112.8 -170.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 . . . . . 0 C--O 1.252 1.233 0 CA-C-N 115.764 -0.653 . . . . 74.41 110.652 174.672 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 120.634 0.254 . . . . 72.24 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.89 -49.76 66.9 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.055 0.391 . . . . 71.14 112.055 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -89.26 -179.91 5.97 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.932 0.396 . . . . 74.33 111.857 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.83 141.47 57.92 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.584 0.587 . . . . 75.43 112.584 -177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.7 148.01 56.83 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 116.229 -0.441 . . . . 73.42 111.464 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.66 157.68 31.94 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.61 2.207 . . . . 52.23 113.426 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.9 mp -94.87 103.1 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 116.396 -0.366 . . . . 62.24 110.64 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 119.09 34.7 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.895 0.379 . . . . 63.13 111.352 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -123.24 109.83 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 120.729 0.299 . . . . 73.1 111.351 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.63 48.5 20.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.391 0.515 . . . . 73.22 112.391 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.78 -2.97 81.6 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.204 -0.522 . . . . 73.13 113.77 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.78 106.96 18.41 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.138 -0.625 . . . . 75.24 110.866 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.08 109.05 17.95 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.131 -0.486 . . . . 63.24 111.992 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -103.06 103.03 13.08 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.979 0.419 . . . . 64.34 110.39 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.35 5.65 8.28 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.34 0.496 . . . . 72.41 112.34 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -153.87 141.78 20.18 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.741 0.305 . . . . 74.54 111.12 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -57.36 -36.27 70.98 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.591 0.589 . . . . 74.34 112.591 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.51 -32.81 71.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.862 0.319 . . . . 63.13 111.862 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.92 -41.64 95.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.039 0.447 . . . . 64.42 111.324 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.56 76.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.976 0.417 . . . . 53.42 111.385 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 93' ' ' LYS . 55.5 mt -67.63 -34.44 76.97 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.117 -0.492 . . . . 65.55 111.42 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.61 -47.07 87.02 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.367 -0.379 . . . . 72.43 111.285 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -62.1 -54.99 33.52 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.373 -0.376 . . . . 60.54 110.8 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.474 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 66.1 mtt -49.3 -37.97 25.95 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.217 -0.447 . . . . 74.15 111.858 175.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.21 -51.27 66.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.697 0.284 . . . . 74.12 111.21 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 22' ' ' ALA . 58.9 t -59.69 -46.96 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 112.074 0.398 . . . . 52.35 112.074 -178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.5 ptm -65.95 -40.71 91.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.798 0.332 . . . . 74.14 111.508 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 76' ' ' GLN . 55.4 tp -64.67 -43.77 92.5 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.081 0.467 . . . . 42.43 111.374 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.523 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -72.27 -0.23 11.64 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.32 0.489 . . . . 54.11 112.32 -178.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.6 -22.72 21.09 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.151 0.5 . . . . 73.25 111.07 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.606 ' HB2' HG21 ' A' ' 68' ' ' VAL . 80.7 m-85 -110.22 140.8 43.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.285 -0.416 . . . . 72.23 110.517 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.536 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 56.2 mtm180 -94.6 164.57 19.45 Favored Pre-proline 0 N--CA 1.468 0.468 0 CA-C-N 116.532 -0.304 . . . . 72.15 111.457 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 19.2 Cg_endo -59.01 77.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.641 2.227 . . . . 64.34 112.649 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 -5.15 0.62 Allowed Glycine 0 CA--C 1.528 0.902 0 CA-C-N 114.813 -1.085 . . . . 71.54 113.424 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.92 145.24 25.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.223 0.535 . . . . 74.41 111.952 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.401 HD12 HD22 ' A' ' 65' ' ' ASN . 50.1 mm -88.06 129.58 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 115.922 -0.581 . . . . 71.1 110.096 172.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 60.9 t -61.3 132.41 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.454 -0.339 . . . . 74.53 111.609 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -60.93 169.23 2.02 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.661 0.615 . . . . 53.33 112.661 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.3 m -57.91 -57.79 11.23 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.621 0.6 . . . . 75.5 112.621 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.81 -48.36 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-O 121.006 0.432 . . . . 63.44 111.83 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.97 -39.0 90.64 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.008 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.06 -48.99 79.49 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 116.137 -0.483 . . . . 51.13 112.599 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.38 -37.16 64.68 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.956 0.408 . . . . 72.35 111.472 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.47 -49.53 76.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.044 -0.526 . . . . 70.11 110.595 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.11 -38.12 78.82 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.737 -0.665 . . . . 74.42 111.927 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 42' ' ' GLY . 66.4 t -58.73 -46.06 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.726 0.298 . . . . 52.15 111.164 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 16.2 mm-40 -62.77 -52.48 63.05 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.863 0.363 . . . . 73.52 111.008 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.84 -33.35 61.61 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.096 0.474 . . . . 64.24 111.609 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.9 tp -74.07 -48.2 31.47 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.899 -0.591 . . . . 65.33 111.151 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -66.78 -7.83 24.09 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.603 0.594 . . . . 71.21 112.603 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 75.1 mtp85 -80.26 -5.1 55.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.965 0.412 . . . . 75.23 111.345 174.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -95.65 138.23 21.82 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.496 -0.32 . . . . 75.15 110.957 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.08 -23.44 60.74 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.274 1.983 . . . . 61.41 111.945 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 57' ' ' SER . 3.4 m-20 -84.75 25.98 0.87 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.063 0.545 . . . . 63.23 111.326 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.92 -64.33 0.85 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.957 0.725 . . . . 71.41 112.957 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -55.51 -31.89 62.43 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 112.308 0.484 . . . . 72.03 112.308 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 54' ' ' ASP . 24.0 t -56.08 -33.67 65.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.006 0.432 . . . . 71.51 111.792 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HB3' HD12 ' A' ' 80' ' ' ILE . 44.7 mmtm -102.76 -33.43 9.39 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.405 -0.361 . . . . 74.51 111.942 -177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 63' ' ' VAL . 66.2 mt -81.75 -48.01 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 112.274 0.472 . . . . 71.23 112.274 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.65 -129.4 19.19 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 120.863 -0.684 . . . . 52.34 111.888 -171.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.27 -41.66 2.4 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.432 2.088 . . . . 74.13 112.756 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.82 158.53 27.58 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.988 -0.625 . . . . 51.14 113.31 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 59' ' ' ILE . 68.8 t -94.92 126.83 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 122.55 -0.383 . . . . 55.21 111.242 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -59.01 2.11 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.835 0.35 . . . . 61.41 110.285 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.401 HD22 HD12 ' A' ' 36' ' ' ILE . 4.1 p-10 -153.08 152.25 31.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.142 0.496 . . . . 53.51 111.979 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 91.5 m-85 -99.04 143.93 28.76 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.261 -0.427 . . . . 64.21 111.041 176.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -121.14 143.99 48.81 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.002 0.429 . . . . 74.24 110.985 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.9 t -101.61 113.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 73.13 110.829 175.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 14.5 ttm180 -131.55 150.17 52.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.32 -0.4 . . . . 71.33 111.038 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 m -78.8 120.85 24.02 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.835 0.35 . . . . 61.2 111.87 -177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.36 4.17 13.39 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.194 0.521 . . . . 32.02 111.367 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -147.4 173.09 12.96 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.115 -0.493 . . . . 75.4 110.365 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -54.96 -52.84 61.79 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.969 0.414 . . . . 74.12 112.027 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.59 19.94 4.19 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 120.842 -0.694 . . . . 64.44 113.793 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.6 p -131.28 158.06 41.65 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.363 0.601 . . . . 74.14 111.752 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.493 ' HB2' HD21 ' A' ' 28' ' ' LEU . 16.8 mt-30 -106.07 174.96 5.66 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.793 -0.639 . . . . 62.53 111.85 -171.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.94 143.16 29.34 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.458 -0.337 . . . . 74.34 111.294 176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -84.55 116.52 23.18 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.975 0.417 . . . . 71.15 111.535 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 60.6 m95 -102.79 135.87 43.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.151 0.501 . . . . 75.12 110.936 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' A' ' 58' ' ' LYS . 53.5 mt -98.34 110.0 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 111.98 0.363 . . . . 63.4 111.98 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.43 100.51 11.91 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.639 0.733 . . . . 44.02 109.531 170.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -76.73 153.92 34.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.074 -0.967 . . . . 75.22 112.401 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -61.33 -21.35 63.92 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.798 0.809 . . . . 73.44 110.136 171.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.11 -26.83 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.737 -1.12 . . . . 72.54 111.522 174.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.74 -15.66 40.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.491 -0.385 . . . . 74.4 113.112 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.0 p -97.63 162.93 13.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.223 0.535 . . . . 73.42 112.241 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 81' ' ' LEU . 6.3 pt-20 -117.0 143.02 46.21 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.928 -0.578 . . . . 60.33 111.532 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -157.69 141.55 15.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.797 0.332 . . . . 73.34 111.157 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -95.48 159.99 14.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.046 0.45 . . . . 53.2 112.172 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -135.62 145.06 46.47 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.115 0.483 . . . . 75.33 111.299 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 63.1 p -79.85 95.67 6.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.219 0.533 . . . . 52.52 111.841 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -64.61 -27.68 69.1 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.217 -0.302 . . . . 74.31 111.765 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 21.6 ptmt -69.79 -11.05 60.56 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.894 0.378 . . . . 73.05 111.79 178.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -107.59 28.26 8.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.029 0.442 . . . . 74.43 111.245 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.84 -21.78 50.92 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.106 0.41 . . . . 74.25 112.106 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.5 t -106.17 -94.69 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 111.781 0.289 . . . . 54.23 111.781 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 mt -157.67 167.48 29.97 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 121.146 0.498 . . . . 72.3 111.72 -175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -85.15 -164.88 1.06 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.839 -0.619 . . . . 75.45 110.989 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -137.65 152.44 49.32 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.905 -0.406 . . . . 71.14 109.905 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -56.27 138.64 50.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.426 0.632 . . . . 62.14 112.132 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -151.78 166.89 29.97 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.72 -0.673 . . . . 72.33 111.502 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -65.48 -53.56 40.87 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.212 -0.449 . . . . 61.52 112.027 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -173.93 119.69 0.28 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.94 0.4 . . . . 64.41 111.635 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.629 -0.701 . . . . 75.44 111.359 177.538 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 112.052 0.39 . . . . 72.11 112.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.38 94.21 1.21 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.303 0.483 . . . . 71.34 112.303 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -138.5 141.49 39.37 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.54 -0.3 . . . . 51.01 111.033 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 59.24 25.79 14.45 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.559 0.577 . . . . 73.51 112.559 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -138.96 145.57 46.04 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-O 120.898 0.38 . . . . 74.44 111.795 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -84.81 174.92 7.16 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.648 2.232 . . . . 73.14 112.292 172.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.546 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -87.14 75.06 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 121.49 0.662 . . . . 71.4 110.467 177.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 51' ' ' ARG . 2.2 tm-20 -93.03 111.43 23.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.108 -0.496 . . . . 55.42 110.415 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -124.05 115.83 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 111.987 0.366 . . . . 64.12 111.987 -177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.23 28.2 14.76 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.595 0.591 . . . . 54.42 112.595 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.15 -20.57 44.74 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 121.451 -0.404 . . . . 75.13 112.646 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -85.07 103.83 14.43 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.95 0.405 . . . . 71.15 110.0 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 10.8 pt-20 -93.09 122.6 35.62 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.501 0.556 . . . . 72.2 112.501 -173.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.527 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 56.8 m-85 -122.46 130.56 53.19 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.274 -0.421 . . . . 73.42 110.482 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.91 -8.25 57.43 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 122.143 -0.348 . . . . 74.44 111.897 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -143.51 145.95 32.98 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.903 0.382 . . . . 72.41 111.542 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' NZ ' ' SG ' ' A' ' 95' ' ' CYS . 46.0 tptt -58.66 -42.11 87.66 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.519 0.562 . . . . 73.23 112.519 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.68 -32.88 44.71 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.199 0.523 . . . . 73.42 111.391 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.91 -47.31 62.99 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.866 -0.606 . . . . 70.32 111.787 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 7' ' ' ILE . . . -55.83 -39.6 71.62 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.293 0.568 . . . . 34.21 110.618 174.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD21 ' HE3' ' A' ' 17' ' ' LYS . 93.7 mt -64.03 -45.88 86.92 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.731 -0.668 . . . . 52.13 111.057 174.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.94 77.51 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.03 0.382 . . . . 71.52 112.03 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.96 -56.49 21.37 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.013 0.435 . . . . 74.54 111.053 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.7 mtm -67.2 -22.2 65.74 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.281 -0.418 . . . . 74.25 111.719 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.15 -56.29 9.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.961 0.41 . . . . 72.22 111.032 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 -55.27 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 116.333 -0.394 . . . . 74.01 112.035 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.42 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 26.2 ptt? -64.34 -33.7 76.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.965 0.358 . . . . 74.05 111.965 -176.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' HG ' ' HB2' ' A' ' 76' ' ' GLN . 51.6 tp -59.71 -49.97 75.67 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.117 0.484 . . . . 54.22 110.922 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -71.59 -16.18 62.29 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.949 -0.568 . . . . 64.11 112.081 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -67.85 -41.12 83.43 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.117 0.484 . . . . 75.4 111.07 174.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' HB2' HG21 ' A' ' 68' ' ' VAL . 93.5 m-85 -90.51 157.98 17.26 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.459 0.647 . . . . 74.13 111.727 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.8 mtt85 -106.52 161.01 24.23 Favored Pre-proline 0 N--CA 1.469 0.502 0 CA-C-N 115.836 -0.62 . . . . 74.3 110.588 -177.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 35.4 Cg_exo -57.14 76.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.616 2.211 . . . . 72.54 112.578 176.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 157.0 -26.99 0.51 Allowed Glycine 0 CA--C 1.528 0.856 0 CA-C-N 114.974 -1.012 . . . . 70.12 112.923 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.31 137.22 55.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.271 0.557 . . . . 74.34 112.243 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.7 140.18 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.906 -0.588 . . . . 71.22 110.344 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.54 144.05 15.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-O 120.668 0.27 . . . . 70.22 111.322 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -65.07 165.57 10.92 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.346 0.594 . . . . 71.11 112.408 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 m -60.81 -27.79 68.3 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.929 -0.578 . . . . 74.45 111.337 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.73 -59.78 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.191 -0.459 . . . . 62.1 111.339 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 39.6 m-20 -63.04 -32.57 73.97 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.014 0.435 . . . . 75.13 111.23 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -57.7 -47.79 86.15 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.202 -0.454 . . . . 75.53 112.556 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.69 -35.48 74.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.139 0.495 . . . . 55.5 111.249 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.38 -47.41 85.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.905 -0.589 . . . . 74.04 110.397 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.68 -38.55 90.8 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.88 -0.6 . . . . 72.31 111.87 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG12 ' HE3' ' A' ' 50' ' ' LYS . 57.5 t -58.98 -48.51 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.856 0.36 . . . . 73.11 110.979 178.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.93 -40.89 94.96 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.996 0.427 . . . . 74.44 111.35 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.04 -26.23 68.17 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.956 0.408 . . . . 21.54 111.562 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.14 -43.79 32.74 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.333 -0.394 . . . . 74.13 111.491 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.575 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.7 mttt -55.3 -18.83 7.03 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.102 0.778 . . . . 63.31 113.102 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 8' ' ' GLU . 94.6 mtt180 -87.88 17.32 4.95 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.346 0.498 . . . . 71.1 112.346 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -111.6 136.53 21.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.473 -0.33 . . . . 74.14 110.413 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -26.01 81.3 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.645 1.564 . . . . 72.21 110.593 170.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -19.4 59.02 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.411 -1.268 . . . . 71.23 111.997 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -51.35 -50.4 59.54 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.599 0.592 . . . . 74.21 112.599 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 t -48.04 -37.02 13.99 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 111.99 0.367 . . . . 61.01 111.99 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.4 t -74.43 -50.95 16.38 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.883 0.373 . . . . 73.11 110.95 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.615 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 22.6 mtmm -80.76 18.35 1.0 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.811 0.671 . . . . 63.21 112.811 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HA ' HH11 ' A' ' 82' ' ' ARG . 80.9 mt -111.58 -47.72 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.372 -0.603 . . . . 63.03 109.372 164.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.88 -117.29 5.83 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.828 -0.624 . . . . 71.54 113.908 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.32 -19.0 15.57 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.802 2.334 . . . . 41.32 113.586 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.79 173.32 20.75 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.622 -0.799 . . . . 64.31 114.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG13 ' NH2' ' A' ' 82' ' ' ARG . 92.1 t -90.92 125.08 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.828 0.347 . . . . 72.54 111.689 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG2' ' ND2' ' A' ' 65' ' ' ASN . 78.4 ttt180 -91.11 -67.17 0.87 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.871 0.367 . . . . 73.21 110.424 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.454 ' ND2' ' HG2' ' A' ' 64' ' ' ARG . 9.7 p30 -168.55 -174.24 2.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.168 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -129.27 141.85 51.0 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.205 -0.452 . . . . 65.51 110.371 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -127.19 146.84 50.26 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.051 0.453 . . . . 65.3 111.914 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 33' ' ' PRO . 86.9 t -101.22 119.26 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.989 0.423 . . . . 73.43 112.017 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 62.4 mtt180 -131.4 160.07 36.14 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.281 -0.418 . . . . 65.53 110.703 174.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.7 m -74.14 153.11 39.68 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.908 0.385 . . . . 70.34 111.352 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.656 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -113.55 -81.87 0.6 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.77 0.319 . . . . 60.42 111.307 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.03 -83.32 0.16 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.678 0.275 . . . . 71.34 111.271 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -135.57 -66.39 0.57 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.112 0.482 . . . . 71.15 110.794 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.83 -11.47 43.41 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.177 -0.465 . . . . 74.01 112.451 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.2 p -96.53 134.35 39.84 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.272 0.558 . . . . 71.2 111.987 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt-30 -103.78 -172.21 2.07 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.69 -0.686 . . . . 70.41 111.077 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 87.9 m -149.07 149.24 30.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.867 0.365 . . . . 72.2 111.411 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -87.89 118.41 27.4 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.262 -0.426 . . . . 65.53 111.039 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.446 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 42.2 m95 -93.55 127.05 39.03 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.25 0.548 . . . . 71.42 111.781 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.1 mt -89.76 106.4 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.669 -0.696 . . . . 64.44 111.728 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -90.88 128.14 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.007 0.432 . . . . 74.12 110.807 176.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.615 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 3.0 mmp_? -103.12 152.21 21.67 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.288 -0.257 . . . . 74.41 111.314 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.3 p -59.26 -28.09 66.4 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 121.34 0.59 . . . . 71.11 110.716 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -55.31 -35.02 64.68 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.463 -0.789 . . . . 74.22 111.823 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.53 -29.47 6.93 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.345 -0.455 . . . . 75.34 112.456 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.4 m -63.87 149.55 46.81 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.057 0.391 . . . . 72.31 112.057 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.38 166.97 18.48 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.177 0.513 . . . . 72.24 111.638 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.533 ' HG2' ' HD3' ' A' ' 58' ' ' LYS . 9.2 tp10 -167.39 167.58 13.76 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.728 -0.669 . . . . 74.03 110.148 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 6.6 ptm180 -129.1 152.54 48.58 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 122.057 -0.402 . . . . 72.11 111.235 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -136.96 136.48 38.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.105 0.478 . . . . 64.51 111.493 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 m -86.06 96.03 9.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.373 -0.376 . . . . 70.21 111.811 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -55.24 -29.06 57.3 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.076 0.465 . . . . 74.44 111.807 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -69.12 -48.98 61.02 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.83 -0.623 . . . . 74.54 112.268 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -78.5 74.0 5.04 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.966 0.412 . . . . 74.24 111.647 -177.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.641 ' SG ' ' NZ ' ' A' ' 17' ' ' LYS . 25.5 p -179.1 58.52 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.896 -0.593 . . . . 73.11 110.919 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.485 HG13 ' HG2' ' A' ' 17' ' ' LYS . 46.7 t -103.91 -71.07 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 121.098 0.475 . . . . 72.01 110.7 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 71.7 mt -135.68 151.51 50.26 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.074 -0.512 . . . . 73.4 110.76 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.9 167.7 10.93 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.158 0.504 . . . . 74.42 111.512 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -96.32 7.14 47.22 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.402 0.62 . . . . 63.55 110.112 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -59.31 -38.86 81.32 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.518 -0.765 . . . . 73.34 113.011 -170.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -80.47 -10.74 59.74 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.026 0.38 . . . . 72.43 112.026 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -147.76 95.45 2.51 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.217 0.532 . . . . 73.42 111.199 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -154.12 117.79 4.66 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.317 -0.401 . . . . 65.25 111.378 -174.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.6 p80 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.393 -0.813 . . . . 73.02 111.256 176.475 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.778 0.323 . . . . 62.12 111.552 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.27 117.58 19.65 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.953 0.406 . . . . 72.2 111.749 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -71.28 -21.51 62.08 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.396 -0.365 . . . . 63.04 111.914 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.79 147.16 52.96 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.013 0.745 . . . . 64.42 113.013 -175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -114.65 151.71 45.57 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 115.862 -0.608 . . . . 64.31 111.808 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.6 150.52 88.29 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.575 2.183 . . . . 64.22 112.824 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.2 mp -84.47 113.08 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 120.702 0.287 . . . . 64.2 111.746 -174.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -106.53 116.78 32.52 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.665 0.269 . . . . 50.52 110.585 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.2 mt -133.4 110.78 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.707 0.289 . . . . 74.11 111.623 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.88 34.48 24.87 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.835 0.68 . . . . 72.32 112.835 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.46 -0.55 77.84 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.18 -0.533 . . . . 51.13 113.074 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -101.98 112.63 25.34 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 122.684 -0.304 . . . . 75.13 110.435 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.57 124.86 41.98 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.01 0.433 . . . . 73.33 111.336 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -116.19 118.28 32.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.807 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.68 4.6 7.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.565 0.58 . . . . 72.23 112.565 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.6 ptt180 -164.15 152.08 12.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.021 0.438 . . . . 64.33 111.257 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -60.53 -40.95 93.36 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.206 0.447 . . . . 74.33 112.206 -177.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.05 75.13 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.877 0.325 . . . . 72.42 111.877 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 37.3 t0 -61.01 -43.83 98.32 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.207 0.527 . . . . 71.44 110.934 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.81 86.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.154 -0.476 . . . . 61.43 111.624 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.4 -36.46 84.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.388 -0.369 . . . . 72.55 111.629 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.38 63.79 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.792 0.33 . . . . 64.12 111.033 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -50.09 -45.88 53.02 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.129 0.49 . . . . 74.12 111.413 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -70.75 -40.69 72.55 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.846 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -61.37 -44.6 96.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.725 0.298 . . . . 73.15 111.678 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.74 -56.12 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 111.707 0.262 . . . . 74.24 111.707 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -62.8 -28.03 69.71 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.886 0.374 . . . . 75.2 111.02 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.65 -44.36 96.46 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.385 -0.37 . . . . 44.21 111.258 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -75.65 -22.85 56.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.706 0.288 . . . . 72.33 111.572 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -46.45 76.7 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.912 0.387 . . . . 71.23 110.304 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -82.01 129.8 34.89 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.108 0.48 . . . . 74.2 110.581 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 79.2 mtp180 -66.22 146.35 99.02 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.088 -0.505 . . . . 71.35 111.957 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 25.3 Cg_exo -65.01 25.02 0.08 OUTLIER 'Trans proline' 0 CA--C 1.55 1.299 0 C-N-CA 123.453 2.769 . . . . 44.23 114.8 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.59 9.99 0.93 Allowed Glycine 0 CA--C 1.528 0.857 0 C-N-CA 121.373 -0.441 . . . . 73.25 112.838 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -113.15 172.97 6.62 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.439 0.533 . . . . 72.54 112.439 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -95.57 147.54 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.82 -0.627 . . . . 74.14 111.545 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -83.17 145.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.471 -0.331 . . . . 64.03 111.321 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 m -67.01 163.82 19.07 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.061 0.458 . . . . 72.11 111.972 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.8 m -59.29 -52.61 64.92 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.765 0.654 . . . . 73.42 112.765 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.16 -50.09 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 120.926 0.393 . . . . 63.43 111.824 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.01 -37.39 76.78 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.062 0.458 . . . . 74.32 110.937 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.04 -43.44 90.78 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.146 -0.479 . . . . 70.14 112.91 177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.02 66.3 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.126 0.489 . . . . 71.41 110.991 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.74 -50.69 72.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.807 -0.633 . . . . 72.54 110.487 174.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.8 -38.95 76.42 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.752 -0.658 . . . . 75.02 111.646 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' HE2' ' A' ' 50' ' ' LYS . 97.6 t -58.59 -48.14 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.682 0.277 . . . . 71.45 111.345 177.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -64.53 -45.12 88.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.992 0.425 . . . . 62.1 111.146 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.07 68.25 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.091 0.472 . . . . 61.32 111.123 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 tp -74.38 -44.21 53.11 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.016 -0.538 . . . . 73.35 111.103 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HE2' HG12 ' A' ' 46' ' ' VAL . 64.9 mttm -52.99 -36.57 60.53 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.231 0.826 . . . . 64.14 113.231 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' NH2' ' SG ' ' A' ' 95' ' ' CYS . 36.7 ptt180 -77.52 14.01 1.11 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.2 0.445 . . . . 61.11 112.2 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -109.76 129.42 23.94 Favored Pre-proline 0 N--CA 1.47 0.556 0 C-N-CA 122.724 0.41 . . . . 71.32 110.083 170.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.79 -22.22 67.06 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.165 1.91 . . . . 72.02 112.434 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.72 -11.19 59.86 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.048 -0.524 . . . . 60.11 111.868 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.61 -51.17 22.16 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.802 0.667 . . . . 70.44 112.802 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.6 t -51.71 -35.43 42.9 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.996 0.739 . . . . 74.45 112.996 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -76.7 -30.28 56.64 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.738 0.304 . . . . 71.12 111.69 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -83.76 -29.37 27.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.998 0.428 . . . . 72.23 111.496 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG23 HG23 ' A' ' 63' ' ' VAL . 78.0 mt -78.74 -43.15 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.279 -0.419 . . . . 74.21 111.386 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.05 -130.93 49.9 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.987 -0.625 . . . . 64.43 112.411 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -75.3 -16.4 19.59 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.625 2.217 . . . . 71.01 113.469 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.95 150.87 6.18 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 34.42 113.86 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG23 HG23 ' A' ' 59' ' ' ILE . 70.4 t -89.23 121.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 122.702 0.401 . . . . 72.31 111.174 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HG3' HD22 ' A' ' 65' ' ' ASN . 32.3 tpt180 -77.64 -58.91 3.01 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.734 0.302 . . . . 75.52 111.114 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.508 HD22 ' HG3' ' A' ' 64' ' ' ARG . 10.1 p30 -166.39 -177.16 3.92 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.705 0.288 . . . . 72.44 111.023 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.28 133.65 55.42 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.845 0.355 . . . . 74.14 111.558 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -120.33 144.89 47.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.466 -0.334 . . . . 51.15 110.658 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.43 138.18 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.039 0.447 . . . . 64.32 112.071 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 63.9 mtt180 -142.46 -177.6 5.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.928 0.491 . . . . 52.54 110.522 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 86.7 p -91.09 175.66 6.87 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.499 -0.319 . . . . 73.15 110.302 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -139.87 -74.81 0.35 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.002 0.43 . . . . 41.44 111.897 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -98.08 -165.41 1.25 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.414 -0.357 . . . . 72.1 111.191 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -57.78 -29.17 64.63 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.035 0.383 . . . . 75.11 112.035 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.43 44.87 0.68 Allowed Glycine 0 CA--C 1.527 0.828 0 C-N-CA 120.909 -0.662 . . . . 73.52 113.338 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.0 p -138.17 157.26 46.65 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.275 0.56 . . . . 63.3 112.005 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 44.8 mt-30 -114.71 176.55 5.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.716 -0.675 . . . . 72.03 110.541 173.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 52.4 t -157.51 152.37 25.53 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.918 0.39 . . . . 72.43 111.864 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.56 123.87 39.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.06 -0.518 . . . . 71.4 111.043 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 55.1 m95 -103.34 134.44 46.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.045 0.45 . . . . 73.12 111.264 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.7 mt -95.01 115.49 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.985 -0.552 . . . . 73.12 111.412 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -84.95 112.04 20.23 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.812 0.339 . . . . 75.13 110.605 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -83.81 146.93 27.86 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.764 0.316 . . . . 74.42 111.602 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.1 p -64.93 -16.6 63.5 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.864 0.364 . . . . 71.02 111.577 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.83 -27.83 65.47 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.307 -0.406 . . . . 72.31 111.532 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.17 22.15 7.33 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 116.223 -0.444 . . . . 70.22 112.982 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.6 p -135.24 -179.43 5.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.758 0.314 . . . . 71.44 111.346 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HB3' HD13 ' A' ' 81' ' ' LEU . 5.2 pt-20 -142.57 150.14 39.98 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.618 0.599 . . . . 44.15 112.618 -175.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -160.36 146.8 15.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.154 -0.475 . . . . 62.24 111.14 171.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.447 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 28.4 ptt-85 -94.46 170.21 9.65 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.232 0.539 . . . . 71.34 112.165 -175.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -139.47 145.32 38.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.016 0.436 . . . . 71.35 111.064 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.3 m -83.59 85.67 7.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.896 0.379 . . . . 61.41 111.863 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -57.81 -26.61 62.21 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.287 -0.415 . . . . 73.43 111.978 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -63.6 -24.79 67.95 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.915 0.388 . . . . 71.2 111.651 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -110.58 79.81 1.24 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.182 0.515 . . . . 72.53 110.379 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.408 ' SG ' ' NH2' ' A' ' 51' ' ' ARG . 24.8 p -125.99 -58.88 1.36 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.241 -0.436 . . . . 55.13 111.757 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -73.09 88.65 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 121.118 0.485 . . . . 73.53 111.03 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.2 mt -141.69 134.48 28.67 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.158 0.504 . . . . 75.44 110.973 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -96.5 -66.68 0.89 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.989 -0.55 . . . . 63.55 109.98 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.49 -83.7 0.6 Allowed 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.542 -0.299 . . . . 71.44 110.65 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -151.29 122.78 7.89 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.834 0.679 . . . . 73.11 112.834 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -132.34 126.49 33.38 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.575 -0.739 . . . . 71.24 109.097 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.3 m80 72.87 86.51 0.11 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.083 0.553 . . . . 60.52 109.762 -167.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -112.79 169.73 8.7 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.539 0.685 . . . . 75.15 112.625 -173.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.6 m80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.302 -0.863 . . . . 62.15 110.299 170.031 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 120.836 0.351 . . . . 61.3 111.674 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.29 114.9 18.59 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.572 0.582 . . . . 75.43 112.572 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -93.69 37.36 1.07 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.227 0.537 . . . . 74.21 110.683 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.81 167.38 22.44 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.946 -0.57 . . . . 43.35 110.929 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 66.48 156.3 0.13 Allowed Pre-proline 0 N--CA 1.478 0.953 0 N-CA-C 112.433 0.531 . . . . 73.11 112.433 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 38.5 Cg_exo -59.44 146.68 94.24 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.379 2.052 . . . . 64.42 112.446 174.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.8 mp -77.01 95.73 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.898 0.38 . . . . 62.31 111.024 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 37.4 tt0 -103.19 118.87 37.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.116 0.484 . . . . 75.35 111.166 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.8 mt -126.1 125.2 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.286 -0.415 . . . . 61.04 111.255 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.18 32.91 22.45 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.071 0.397 . . . . 65.54 112.071 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.41 -10.05 62.67 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.961 -0.638 . . . . 54.11 113.376 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -91.53 108.89 20.21 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.13 -0.322 . . . . 73.25 110.13 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -87.34 135.27 33.39 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.257 0.551 . . . . 71.03 112.322 -176.229 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' HE2' ' HE1' ' A' ' 44' ' ' PHE . 64.3 m-85 -126.77 119.3 26.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.984 -0.553 . . . . 75.21 110.414 174.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -60.09 -24.07 64.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.969 0.414 . . . . 61.42 112.01 -178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -144.98 144.34 30.99 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.322 -0.399 . . . . 74.21 111.207 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 95' ' ' CYS . 52.5 tptt -57.7 -35.5 70.71 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.799 0.296 . . . . 73.34 111.799 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.97 -47.52 74.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 72.33 111.421 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.67 -36.69 79.37 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.274 -0.421 . . . . 74.14 111.02 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.73 99.07 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.122 -0.49 . . . . 62.44 111.66 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.672 0.272 . . . . 74.23 111.07 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.56 -46.82 86.07 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 120.967 0.413 . . . . 73.01 110.852 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.72 -48.8 78.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.014 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.4 mtt -56.87 -49.37 75.7 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.135 -0.484 . . . . 70.53 111.251 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.55 -51.21 70.81 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.057 -0.519 . . . . 73.34 112.003 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' ALA . 96.7 t -56.94 -59.24 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 111.81 0.3 . . . . 74.21 111.81 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -58.93 -30.94 68.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.706 0.289 . . . . 63.54 111.263 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.75 -47.78 71.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.064 0.459 . . . . 65.4 111.436 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -64.5 -20.17 66.04 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.608 179.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 28.7 mmt180 -68.79 -23.25 64.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.902 0.382 . . . . 60.24 110.94 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -93.56 168.71 10.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.183 0.516 . . . . 74.42 110.772 173.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.63 165.12 14.31 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.157 -0.474 . . . . 74.34 109.952 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -67.35 35.36 0.15 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 122.722 2.282 . . . . 60.41 114.381 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -171.39 31.84 0.13 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 121.046 -0.597 . . . . 71.54 113.622 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.08 172.26 7.04 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.47 0.653 . . . . 71.34 112.425 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mm -99.88 139.52 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.647 -0.706 . . . . 73.14 110.88 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.5 t -71.4 145.38 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 120.822 0.344 . . . . 71.43 111.808 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -79.97 -176.72 5.64 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.842 0.682 . . . . 61.32 112.842 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.1 m -59.69 -68.25 0.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.923 0.712 . . . . 74.22 112.923 -175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.54 -44.61 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.213 0.53 . . . . 71.42 111.305 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 m-20 -56.7 -45.91 81.55 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.578 -0.737 . . . . 73.24 111.078 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -68.38 -42.91 80.81 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 116.261 -0.427 . . . . 40.01 113.02 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.52 87.73 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.128 0.49 . . . . 64.11 110.869 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' HE1' ' HE2' ' A' ' 14' ' ' PHE . 84.1 t80 -55.84 -44.99 78.52 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.741 -0.663 . . . . 74.24 111.043 175.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 94.1 mt -61.23 -43.35 99.01 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.117 -0.492 . . . . 73.24 111.798 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 42' ' ' GLY . 62.3 t -58.2 -46.9 88.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.194 0.521 . . . . 71.14 111.109 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.93 -34.47 77.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.14 -0.482 . . . . 75.43 111.439 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.22 61.37 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.881 0.372 . . . . 64.54 111.462 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.81 -48.24 15.15 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.29 -0.414 . . . . 71.03 111.687 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -56.56 -26.28 54.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.94 0.718 . . . . 73.55 112.94 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -81.21 20.14 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.047 0.451 . . . . 75.44 112.072 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -114.49 140.23 24.94 Favored Pre-proline 0 N--CA 1.471 0.582 0 N-CA-C 109.907 -0.405 . . . . 64.13 109.907 170.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.09 -27.13 83.89 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 121.982 1.788 . . . . 35.32 111.943 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 2.3 m-20 -73.62 -15.9 61.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.638 -0.71 . . . . 64.5 111.69 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.6 62.25 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.72 0.637 . . . . 51.44 112.72 -174.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 t -49.77 -40.11 40.15 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.904 0.383 . . . . 54.1 111.748 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -82.72 -33.98 27.39 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.004 0.43 . . . . 71.22 111.633 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 51.9 mttm -83.98 -6.76 59.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.57 0.581 . . . . 52.05 112.57 -175.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.5 mt -110.11 -57.3 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.99 0.424 . . . . 73.41 110.881 174.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.36 -116.4 9.11 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-N 116.22 -0.445 . . . . 72.5 113.475 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.71 -20.82 15.16 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.718 2.279 . . . . 63.04 113.232 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.61 173.84 23.21 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.852 -0.69 . . . . 54.35 113.453 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 57.3 t -114.69 121.25 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 73.0 111.148 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -73.75 -52.68 12.37 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.727 0.299 . . . . 61.33 110.322 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -171.92 -177.4 1.92 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.227 0.536 . . . . 71.0 111.418 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -120.1 143.74 47.99 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.038 -0.528 . . . . 65.21 110.508 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.03 141.69 51.97 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.904 0.383 . . . . 73.22 111.398 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -101.13 120.79 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.919 0.39 . . . . 72.31 111.737 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -133.37 165.16 25.49 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.851 0.358 . . . . 75.2 111.027 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t -78.79 85.78 4.76 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.051 -0.722 . . . . 74.42 109.051 169.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 77' ' ' CYS . . . -60.24 -69.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.819 0.674 . . . . 55.2 112.819 -171.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -153.31 159.17 42.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.829 0.347 . . . . 65.31 111.881 -176.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 56.8 23.56 8.16 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.857 0.688 . . . . 75.31 112.857 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.26 22.47 77.5 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.021 -0.609 . . . . 52.13 113.027 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.8 p -120.39 135.53 55.01 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.008 0.433 . . . . 70.01 111.439 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.03 152.22 44.01 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.091 -0.504 . . . . 63.42 111.563 177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 90.6 m -152.68 161.85 42.03 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.397 -0.365 . . . . 52.43 110.847 174.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -90.56 131.47 36.26 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.115 0.483 . . . . 65.22 111.792 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -101.98 130.97 48.65 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.047 -0.524 . . . . 70.21 110.858 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.91 107.86 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.575 0.226 . . . . 75.33 111.451 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.1 mm? -96.51 107.04 19.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.776 0.322 . . . . 63.44 110.454 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.534 ' NH1' ' HA ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -83.74 157.57 22.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.709 0.29 . . . . 65.55 111.573 -178.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.9 p -59.51 -28.78 67.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.369 0.604 . . . . 75.34 110.764 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -58.99 -26.37 64.45 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.552 -0.749 . . . . 73.32 111.596 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.38 -32.53 6.92 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 116.384 -0.371 . . . . 75.22 112.495 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -59.32 142.64 51.57 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.218 0.451 . . . . 70.54 112.218 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.422 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -114.7 157.29 23.36 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.228 -0.442 . . . . 72.42 111.765 178.191 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -154.81 115.84 3.99 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.186 0.517 . . . . 73.22 112.201 173.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.479 ' HD2' ' HB1' ' A' ' 71' ' ' ALA . 8.2 ttp180 -68.36 125.62 27.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.973 -0.558 . . . . 72.13 110.152 168.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -120.05 125.24 47.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.474 0.654 . . . . 75.53 111.096 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -72.59 88.45 1.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 45.12 111.68 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.631 ' HA ' ' SG ' ' A' ' 95' ' ' CYS . 37.6 p90 -55.92 -31.97 63.36 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.485 0.66 . . . . 73.44 110.342 174.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -59.08 -20.62 55.01 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.293 -0.867 . . . . 73.41 112.383 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -113.96 21.68 14.64 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.052 0.453 . . . . 63.45 111.854 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.631 ' SG ' ' HA ' ' A' ' 92' ' ' TYR . 89.1 m -84.12 38.06 0.64 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.087 0.47 . . . . 72.41 110.815 173.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.9 t -125.68 -64.88 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.906 -0.588 . . . . 65.14 110.261 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.7 mt -130.4 163.41 26.97 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.745 -0.662 . . . . 74.24 110.635 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.77 -170.81 2.28 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.583 0.586 . . . . 73.31 112.583 -174.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -65.62 -53.81 36.46 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.676 0.991 . . . . 75.45 113.676 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -177.86 97.91 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.638 0.256 . . . . 75.13 111.061 -172.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -60.12 150.08 30.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.601 0.715 . . . . 71.55 112.335 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -131.2 148.22 52.68 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.405 -0.816 . . . . 64.44 111.256 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -76.39 -42.95 42.72 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.127 0.489 . . . . 74.35 110.769 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.83 -0.605 . . . . 71.12 110.773 177.094 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.709 0.29 . . . . 73.24 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.78 99.94 5.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.132 0.491 . . . . 50.45 111.802 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 11.44 20.48 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.335 -0.393 . . . . 72.12 110.732 173.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.42 167.07 12.73 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.432 -0.349 . . . . 70.53 111.819 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 69.93 149.63 0.12 Allowed Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 123.177 0.591 . . . . 73.34 112.398 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 12.6 Cg_exo -70.89 175.72 8.64 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.573 2.182 . . . . 65.04 112.424 176.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.3 mp -71.36 88.25 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.039 0.447 . . . . 75.11 110.059 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.36 130.47 35.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.967 0.413 . . . . 53.14 111.295 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mt -138.0 113.66 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.357 -0.383 . . . . 65.34 110.727 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.94 25.56 15.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.922 0.392 . . . . 71.43 111.909 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.45 -11.09 69.0 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.323 -0.465 . . . . 55.1 113.164 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -83.27 117.83 23.23 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.413 -0.463 . . . . 74.21 110.486 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -91.9 121.85 33.87 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.339 0.59 . . . . 54.14 112.136 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 85.6 m-85 -115.36 110.31 19.18 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.965 0.412 . . . . 74.43 110.855 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.83 -3.81 10.74 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.687 0.625 . . . . 73.21 112.687 -177.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -152.85 139.32 18.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.405 0.282 . . . . 54.13 110.584 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.544 ' HG3' HG13 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -58.78 -43.49 90.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.858 0.361 . . . . 65.22 111.544 -179.23 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.63 65.69 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.931 0.345 . . . . 54.23 111.931 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -67.51 -44.24 78.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.106 0.479 . . . . 65.44 110.014 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.74 -46.28 90.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.884 -0.598 . . . . 64.03 111.735 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.25 -43.78 98.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.51 -0.314 . . . . 74.42 111.027 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.97 -47.8 83.84 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.294 -0.412 . . . . 64.32 111.176 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.8 -53.72 55.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.3 -0.409 . . . . 73.12 111.419 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.2 mtm -62.16 -36.16 81.0 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.466 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -62.6 -49.41 75.33 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.841 0.353 . . . . 73.23 110.344 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' ALA . 79.1 t -57.12 -57.01 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.389 -0.368 . . . . 73.45 111.455 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -57.41 -39.63 76.58 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.792 0.329 . . . . 64.3 110.92 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.41 -41.78 81.0 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.225 0.536 . . . . 64.43 111.215 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.568 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -79.75 9.53 5.06 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.993 -0.549 . . . . 72.23 112.289 -178.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 26' ' ' VAL . 2.3 mpt_? -103.59 -6.89 21.24 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.953 0.406 . . . . 71.52 111.019 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' HB2' HG21 ' A' ' 68' ' ' VAL . 84.9 m-85 -107.33 156.44 18.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 75.43 110.102 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.544 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -83.21 155.69 66.77 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 109.861 -0.422 . . . . 75.14 109.861 176.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 68' ' ' VAL . 55.9 Cg_endo -67.56 26.71 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.275 0 C-N-CA 122.838 2.359 . . . . 61.41 114.763 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.3 32.48 0.2 Allowed Glycine 0 CA--C 1.528 0.852 0 C-N-CA 120.991 -0.623 . . . . 73.42 113.498 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 6.5 m-20 -122.26 172.22 8.45 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.438 0.637 . . . . 75.13 112.666 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.536 HD13 ' HG2' ' A' ' 67' ' ' GLU . 42.0 mm -74.49 139.32 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.374 -0.83 . . . . 63.42 112.364 -176.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -82.8 150.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.172 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 p -68.17 171.65 6.76 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.289 0.566 . . . . 61.24 112.324 -175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.3 m -64.22 -48.29 76.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.058 -0.519 . . . . 75.32 111.536 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.33 -52.7 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.175 -0.466 . . . . 64.43 111.438 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.46 -40.72 68.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.941 0.4 . . . . 63.14 111.11 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -59.12 -53.7 44.16 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.352 -0.452 . . . . 73.5 112.836 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.03 -35.79 73.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.139 0.495 . . . . 62.52 111.277 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -58.66 -51.56 69.4 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.789 -0.641 . . . . 70.21 110.684 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.47 -35.18 73.59 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.992 -0.549 . . . . 73.42 112.136 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 50' ' ' LYS . 88.1 t -57.27 -51.78 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 120.885 0.374 . . . . 70.1 111.454 177.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -62.43 -41.29 98.61 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.782 0.325 . . . . 71.22 111.435 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.52 -34.72 76.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.084 0.469 . . . . 61.42 111.233 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 tp -67.98 -39.02 83.38 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.992 -0.549 . . . . 64.34 111.537 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.2 mttt -59.0 -14.57 9.75 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.053 0.76 . . . . 73.31 113.053 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.632 ' HB2' ' SG ' ' A' ' 95' ' ' CYS . 15.8 mtm180 -90.05 13.9 13.71 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.29 0.567 . . . . 73.52 111.099 176.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -102.95 136.84 19.18 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.008 -0.542 . . . . 71.24 111.521 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.87 -22.04 49.57 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.057 1.838 . . . . 70.1 111.427 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.08 -1.98 58.03 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.639 -0.709 . . . . 74.54 112.123 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.2 -45.11 79.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.228 0.455 . . . . 75.4 112.228 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -56.98 -25.0 57.4 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.925 0.393 . . . . 73.01 111.838 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -89.85 -35.31 15.72 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.667 0.387 . . . . 63.05 111.436 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -72.78 -31.6 64.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.992 0.425 . . . . 43.11 111.722 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 63' ' ' VAL . 72.2 mt -80.22 -44.05 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 116.334 -0.394 . . . . 63.41 111.233 177.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.23 -113.84 5.83 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 121.409 -0.424 . . . . 61.51 113.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.29 -20.35 8.5 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.568 2.178 . . . . 65.32 113.128 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.52 150.36 5.37 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.32 -0.467 . . . . 43.14 113.148 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 59' ' ' ILE . 58.8 t -87.71 115.12 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 121.041 0.448 . . . . 72.51 111.382 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -81.95 -55.96 4.26 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.925 0.393 . . . . 74.04 111.074 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -162.3 -175.79 4.75 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.935 0.397 . . . . 72.24 111.198 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.461 ' CE2' HG12 ' A' ' 80' ' ' ILE . 79.6 m-85 -127.67 144.55 51.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.499 -0.319 . . . . 54.2 111.059 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HG2' HD13 ' A' ' 36' ' ' ILE . 44.0 mt-10 -129.93 151.85 50.04 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.034 0.445 . . . . 72.53 111.144 175.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 31' ' ' TYR . 58.4 t -89.93 147.1 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.084 0.469 . . . . 65.15 111.596 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 3.5 tpm_? -141.45 163.58 32.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.368 -0.378 . . . . 75.12 110.46 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 57.6 p -73.38 159.38 33.39 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.649 0.262 . . . . 71.11 111.001 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -145.3 -177.56 5.62 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.299 0.571 . . . . 75.1 112.067 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.08 155.85 23.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.791 -0.64 . . . . 72.23 112.362 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 62.03 18.94 10.39 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.15 -0.477 . . . . 71.22 111.488 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.46 30.87 68.61 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.119 -0.562 . . . . 73.1 112.951 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 p -100.09 -162.65 0.96 Allowed 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.847 0.356 . . . . 74.42 111.234 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -129.39 167.16 18.2 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.747 0.308 . . . . 65.43 111.492 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 69' ' ' ARG . 28.0 p -149.5 157.25 43.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.888 0.375 . . . . 73.44 111.527 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -99.93 133.94 43.57 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.28 -0.418 . . . . 74.44 111.377 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -115.38 138.76 50.65 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.192 0.52 . . . . 75.12 111.802 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.461 HG12 ' CE2' ' A' ' 66' ' ' PHE . 48.1 mt -90.16 113.87 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.749 -0.659 . . . . 75.23 111.499 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.9 mm? -87.14 103.48 15.45 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.14 0.495 . . . . 72.14 110.584 175.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -79.91 148.37 31.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.858 -0.61 . . . . 64.44 111.697 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -58.65 -21.13 53.22 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.385 0.612 . . . . 73.03 110.852 175.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -52.65 -43.95 65.81 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.441 -0.799 . . . . 71.42 111.91 171.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.08 -21.59 6.92 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.914 -0.66 . . . . 52.1 113.288 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.6 m -104.72 136.03 44.99 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.388 0.613 . . . . 50.1 112.078 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.56 ' HB3' HD13 ' A' ' 81' ' ' LEU . 9.1 pt-20 -83.85 155.17 23.08 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.843 -0.617 . . . . 63.3 111.934 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -155.08 140.89 18.14 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.035 -0.53 . . . . 74.25 110.624 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -96.45 169.32 9.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.704 0.764 . . . . 74.3 112.755 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -142.96 132.01 23.04 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.679 -0.691 . . . . 63.34 110.557 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 p -70.65 97.5 1.35 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.116 0.484 . . . . 40.1 111.203 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.65 -38.13 88.49 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.326 0.491 . . . . 72.31 112.326 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -4.99 36.88 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.558 0.577 . . . . 74.53 112.558 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -97.54 -0.32 46.13 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.997 0.427 . . . . 71.2 111.307 174.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' A' ' 51' ' ' ARG . 51.4 t -91.12 53.08 2.26 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.464 0.65 . . . . 74.24 110.347 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.544 HG13 ' HG3' ' A' ' 17' ' ' LYS . 59.0 t -80.1 -76.8 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.336 -0.847 . . . . 72.33 112.13 -175.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 98' ' ' GLU . 2.0 tm? 178.6 152.16 0.32 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.612 -0.514 . . . . 75.14 109.612 -173.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.664 ' N ' HD13 ' A' ' 97' ' ' LEU . 69.0 mt-10 -56.5 113.0 1.42 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 120.839 0.352 . . . . 73.43 111.642 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -129.56 147.28 51.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.911 0.386 . . . . 70.51 111.448 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -56.49 164.4 1.42 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.985 0.735 . . . . 73.03 112.985 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -74.39 173.96 9.55 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.149 0.5 . . . . 41.35 112.046 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -84.09 149.51 26.17 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.041 -0.527 . . . . 63.43 111.441 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -143.57 15.11 1.79 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.302 0.482 . . . . 74.11 112.302 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.0 p80 . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.68 -0.676 . . . . 75.11 110.821 175.745 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 112.152 0.426 . . . . 71.32 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.77 110.86 3.43 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.995 0.426 . . . . 52.31 111.614 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -151.83 -160.66 1.18 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.882 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.42 88.88 0.33 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.101 0.477 . . . . 75.25 110.352 171.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -116.44 150.51 45.58 Favored Pre-proline 0 N--CA 1.47 0.541 0 CA-C-N 116.019 -0.537 . . . . 73.22 111.427 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.12 140.55 72.22 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 122.684 2.256 . . . . 72.15 113.055 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -80.03 102.76 6.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 120.975 0.417 . . . . 54.34 111.216 -177.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -91.92 114.37 26.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.029 0.442 . . . . 64.11 111.065 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -126.89 110.43 23.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.463 -0.335 . . . . 71.24 111.319 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.07 33.22 22.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.003 0.43 . . . . 70.52 111.958 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 -22.41 39.59 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.49 -0.386 . . . . 72.14 112.972 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -78.66 104.68 9.43 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.734 0.302 . . . . 55.53 110.762 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -88.66 111.16 21.6 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.347 -0.388 . . . . 55.34 111.889 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.425 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 83.6 m-85 -94.38 123.84 38.04 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.41 -0.359 . . . . 74.55 111.15 177.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.251 0.463 . . . . 74.55 112.251 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HG2' ' OD2' ' A' ' 19' ' ' ASP . 19.6 ptp180 -130.06 165.68 21.73 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.879 0.371 . . . . 74.52 110.954 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.786 ' HE2' ' HA ' ' A' ' 96' ' ' VAL . 36.3 tptt -63.34 -38.47 91.29 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.354 0.597 . . . . 73.05 110.849 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.22 62.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.474 -0.784 . . . . 65.31 112.232 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' OD2' ' HG2' ' A' ' 16' ' ' ARG . 33.5 m-20 -62.17 -48.06 81.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.934 0.397 . . . . 54.4 111.286 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.45 84.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.281 -0.418 . . . . 71.13 111.734 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 93' ' ' LYS . 56.1 mt -64.13 -46.98 81.74 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.95 0.405 . . . . 75.41 111.607 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.0 -52.1 66.42 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.89 0.376 . . . . 74.44 111.511 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 27' ' ' MET . 88.9 t80 -53.2 -61.36 2.35 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.98 -0.554 . . . . 73.23 111.592 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.12 -31.39 68.89 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.612 0.597 . . . . 74.23 112.612 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -68.83 -47.56 65.71 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.87 -0.519 . . . . 72.13 111.225 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.7 t -53.31 -58.28 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 120.67 0.271 . . . . 63.22 111.443 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 11.9 ptm -57.06 -41.09 78.09 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.376 -0.374 . . . . 71.21 111.538 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 68' ' ' VAL . 53.7 tp -58.14 -41.14 83.05 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.019 0.438 . . . . 72.11 111.616 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -67.44 -21.35 65.56 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.333 -0.394 . . . . 70.11 111.997 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -76.55 -11.77 59.92 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.082 0.468 . . . . 75.3 110.982 175.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' HB2' HG21 ' A' ' 68' ' ' VAL . 90.7 m-85 -105.13 162.01 13.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.165 -0.47 . . . . 75.03 109.845 170.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.479 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 33.8 mtp180 -106.81 159.77 28.71 Favored Pre-proline 0 CA--C 1.538 0.508 0 O-C-N 122.123 -0.36 . . . . 71.44 110.843 176.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -65.06 26.0 0.08 OUTLIER 'Trans proline' 0 CA--C 1.552 1.396 0 C-N-CA 122.979 2.453 . . . . 61.3 114.469 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -156.03 33.41 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 112.15 -0.38 . . . . 61.34 112.15 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 m-20 -136.03 162.55 32.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.03 0.443 . . . . 72.3 111.759 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.27 144.89 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 121.155 0.502 . . . . 75.34 111.677 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.11 141.83 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 116.236 -0.438 . . . . 74.04 111.194 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -55.31 144.41 25.08 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.948 0.404 . . . . 74.32 111.852 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -58.97 -38.67 79.63 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.218 0.451 . . . . 64.23 112.218 -176.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.65 -55.55 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-O 121.085 0.469 . . . . 65.1 111.128 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.89 -34.68 68.13 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.123 -0.489 . . . . 64.12 111.109 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -60.35 -46.09 94.96 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-N 116.171 -0.468 . . . . 71.35 112.751 176.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.77 -40.2 72.28 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.093 0.473 . . . . 71.54 111.095 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -59.82 -50.33 74.22 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.857 -0.61 . . . . 71.44 110.761 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.41 -35.9 74.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.854 -0.612 . . . . 71.42 112.016 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' HE3' ' A' ' 50' ' ' LYS . 89.4 t -57.82 -48.61 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 120.804 0.335 . . . . 74.45 111.034 176.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 50.1 mm-40 -67.61 -38.94 84.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.973 0.416 . . . . 70.33 110.76 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -32.27 70.78 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.151 0.501 . . . . 71.51 111.131 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD22 HD13 ' A' ' 80' ' ' ILE . 51.2 tp -73.39 -41.14 63.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.062 -0.517 . . . . 70.24 110.995 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HE3' HG12 ' A' ' 46' ' ' VAL . 98.6 mttt -60.09 -25.21 65.24 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.085 0.469 . . . . 62.43 111.562 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.3 mmp_? -62.33 -14.78 43.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.245 -0.434 . . . . 73.32 111.555 175.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.532 ' CE1' ' SG ' ' A' ' 95' ' ' CYS . 72.1 m-70 -101.19 144.29 28.28 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 122.742 0.417 . . . . 75.22 111.238 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.05 -16.76 40.79 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.26 1.973 . . . . 61.2 111.732 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.53 -9.43 59.33 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.783 -0.644 . . . . 64.02 111.635 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.96 20.79 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.068 0.766 . . . . 51.34 113.068 -173.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -51.52 -35.58 41.11 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.951 0.405 . . . . 70.31 112.082 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.2 t -81.68 -41.34 21.5 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.987 0.423 . . . . 70.15 111.387 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -75.53 -20.77 58.48 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.347 0.499 . . . . 64.3 112.347 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.7 mt -91.6 -55.46 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.925 0.393 . . . . 73.45 111.144 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.37 -115.48 7.96 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.242 -0.504 . . . . 70.2 113.291 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 56.9 Cg_endo -69.61 -23.34 31.58 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.657 2.238 . . . . 62.4 113.045 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.03 167.5 12.26 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.98 -0.628 . . . . 54.43 113.213 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.54 118.74 48.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 121.016 0.436 . . . . 60.23 111.225 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -86.03 -46.95 10.02 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.894 0.378 . . . . 72.24 111.184 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -170.55 176.42 4.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.074 0.464 . . . . 72.25 111.141 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -119.75 132.22 55.57 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.374 -0.376 . . . . 71.31 110.687 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -121.63 139.03 54.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.416 -0.356 . . . . 72.24 110.382 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 28' ' ' LEU . 68.6 t -87.97 134.8 27.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.835 0.35 . . . . 75.21 111.599 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 12.5 ttm-85 -141.91 -175.2 4.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.481 -0.327 . . . . 73.24 110.223 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.9 p -75.81 167.0 22.69 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.265 0.555 . . . . 63.3 112.29 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.67 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -138.5 -77.92 0.36 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.855 -0.611 . . . . 64.13 111.25 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -87.04 -160.75 0.62 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.429 -0.35 . . . . 63.14 110.526 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -56.62 -31.81 64.68 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.417 0.525 . . . . 70.44 112.417 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.8 30.16 0.92 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 120.685 -0.769 . . . . 60.53 114.016 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.6 p -114.92 179.71 3.87 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 117.536 0.668 . . . . 74.24 112.051 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -121.03 168.29 11.68 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.086 -0.506 . . . . 71.0 112.048 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 20.6 m -153.53 154.06 33.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.063 -0.517 . . . . 72.21 111.121 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -82.43 119.75 24.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.463 -0.335 . . . . 74.45 111.189 176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.441 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 42.5 m95 -101.61 127.27 48.41 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.559 0.695 . . . . 74.21 111.649 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 33.8 mt -83.89 103.56 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.468 -0.787 . . . . 63.35 111.896 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -80.02 104.79 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 75.43 110.122 173.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -81.89 151.38 27.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 71.14 111.764 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.0 p -59.5 -17.85 35.22 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.011 0.434 . . . . 70.04 111.732 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.55 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 5.2 t70 -54.4 -39.71 67.52 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.023 -0.535 . . . . 72.33 111.284 171.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.64 -34.25 3.07 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 115.749 -0.66 . . . . 41.31 112.218 -175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.4 t -88.64 167.55 13.27 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.458 0.647 . . . . 75.23 112.146 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HB3' HD13 ' A' ' 81' ' ' LEU . 10.8 pt-20 -104.77 177.35 4.87 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.841 -0.618 . . . . 70.22 112.03 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 14.6 tp10 -158.29 168.11 27.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.596 -0.729 . . . . 75.02 109.403 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -140.15 152.43 46.06 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.639 -0.663 . . . . 75.02 112.029 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -138.53 110.78 7.38 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.318 0.58 . . . . 61.13 110.176 171.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -76.78 74.85 3.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.218 0.532 . . . . 65.11 111.419 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -52.12 -31.18 29.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.691 -0.686 . . . . 73.1 112.545 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HG3' ' HG2' ' A' ' 94' ' ' LYS . 47.5 pttt -54.92 -29.21 55.61 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.065 0.765 . . . . 71.22 113.065 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.574 ' HG2' ' HG3' ' A' ' 93' ' ' LYS . 14.5 mmmm -111.77 22.03 15.4 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.954 0.407 . . . . 72.4 111.68 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.532 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 51.9 t -101.15 43.01 1.08 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.309 0.576 . . . . 55.32 110.787 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.786 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 60.1 t -98.21 -77.1 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 116.154 -0.476 . . . . 65.11 111.56 -177.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 98' ' ' GLU . 1.2 tm? -171.93 149.2 2.41 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.221 -0.659 . . . . 74.32 109.221 -175.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.633 ' N ' HD13 ' A' ' 97' ' ' LEU . 44.1 mt-10 -46.56 117.91 1.8 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.185 0.517 . . . . 73.14 111.865 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -49.21 144.67 4.93 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.777 1.029 . . . . 74.12 113.777 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -127.89 12.76 6.78 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.376 0.608 . . . . 74.55 110.735 174.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -166.95 145.03 4.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.66 -0.7 . . . . 74.45 109.925 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -153.54 115.57 4.32 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.913 0.387 . . . . 73.21 111.978 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -74.48 143.63 44.54 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.384 -0.371 . . . . 75.42 110.891 174.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 118.873 -0.584 . . . . 74.31 110.964 177.145 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.726 0.298 . . . . 74.54 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.3 164.62 19.87 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.071 0.463 . . . . 63.52 111.901 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -78.5 -15.6 58.43 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.242 -0.436 . . . . 71.42 111.411 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.62 95.09 4.49 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.909 0.385 . . . . 75.11 111.402 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -114.14 154.42 46.19 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.14 -0.482 . . . . 71.11 111.331 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -65.8 142.84 71.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.429 2.086 . . . . 70.2 112.566 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -72.96 94.02 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.262 0.553 . . . . 63.03 110.326 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -87.91 110.46 20.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.254 0.55 . . . . 51.41 111.972 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt -124.56 120.3 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.243 -0.435 . . . . 74.55 110.86 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 47' ' ' GLU . . . 56.52 34.67 24.75 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.968 0.413 . . . . 62.43 111.966 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.74 -26.23 17.38 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 121.214 -0.517 . . . . 54.52 113.209 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -75.88 115.66 15.8 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.78 -0.247 . . . . 63.41 111.32 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -94.07 106.47 18.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.003 0.43 . . . . 51.13 111.121 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.71 139.47 30.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.861 0.362 . . . . 73.13 111.897 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.99 74.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.974 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -158.26 172.39 18.46 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.416 -0.357 . . . . 71.24 110.698 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HE2' HD21 ' A' ' 21' ' ' LEU . 22.3 tptm -57.25 -41.61 79.95 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 122.281 -0.262 . . . . 55.43 111.209 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.1 76.1 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.977 0.418 . . . . 60.32 111.662 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.27 -38.86 88.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.239 0.542 . . . . 63.14 110.314 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.53 83.56 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.018 -0.537 . . . . 72.4 111.071 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 93' ' ' LYS . 84.0 mt -64.08 -32.03 73.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.358 -0.383 . . . . 72.31 110.882 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.94 -22.98 66.07 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.338 -0.392 . . . . 64.42 111.712 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 27' ' ' MET . 66.3 t80 -91.68 -56.87 2.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.113 0.482 . . . . 63.35 110.304 174.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.7 mtm -59.78 -46.01 90.5 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.971 0.73 . . . . 74.24 112.971 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.48 -42.09 98.58 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 122.025 -0.422 . . . . 52.02 111.462 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.08 -38.28 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 121.025 -0.27 . . . . 74.53 111.324 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 23' ' ' PHE . 47.7 mtm -60.02 -49.08 79.06 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.093 0.473 . . . . 71.22 109.77 173.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.0 tp -52.95 -48.66 67.19 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.769 -0.65 . . . . 73.51 111.08 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -71.36 -24.96 62.18 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.917 -0.583 . . . . 74.4 111.797 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.39 -34.35 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.056 0.455 . . . . 73.12 110.714 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -97.97 156.62 16.54 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.995 0.426 . . . . 71.43 110.365 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 35' ' ' ASP . 75.9 mtm180 -84.75 163.61 45.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 122.118 -0.364 . . . . 71.22 110.553 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -65.93 31.49 0.11 Allowed 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 122.954 2.436 . . . . 53.14 114.634 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.34 34.23 0.23 Allowed Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.087 -0.577 . . . . 53.34 113.462 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 32' ' ' ARG . 15.2 m-20 -125.75 161.08 28.13 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.347 0.594 . . . . 72.55 112.278 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.2 148.7 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 115.834 -0.621 . . . . 73.31 111.563 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -84.15 145.53 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 116.173 -0.467 . . . . 63.0 111.112 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.9 p -71.91 176.56 4.9 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.228 0.537 . . . . 60.14 112.308 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -61.2 -53.95 50.47 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.014 -0.539 . . . . 75.43 111.899 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.11 -55.37 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 116.269 -0.423 . . . . 64.23 111.561 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -44.56 66.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.042 0.449 . . . . 73.24 111.05 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.479 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.51 -49.91 69.33 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.179 -0.464 . . . . 74.22 113.28 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.55 -37.62 73.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.112 0.482 . . . . 72.25 111.146 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -59.99 -48.75 80.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.796 -0.638 . . . . 73.23 110.553 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.64 -37.79 79.63 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.05 -0.523 . . . . 33.05 111.81 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 42' ' ' GLY . 95.7 t -56.78 -47.51 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.942 0.401 . . . . 74.5 110.934 175.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 48.9 mm-40 -64.22 -48.63 75.09 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.429 -0.351 . . . . 72.31 111.495 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.97 64.52 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.302 0.572 . . . . 52.31 110.902 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' HG ' ' HB1' ' A' ' 55' ' ' ALA . 55.6 tp -64.67 -56.53 13.22 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.712 -0.676 . . . . 54.22 110.685 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.65 -21.24 38.7 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.475 0.917 . . . . 74.23 113.475 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 11.0 mmp_? -58.68 -17.08 19.52 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.947 0.403 . . . . 73.14 111.372 175.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.65 ' NE2' ' SG ' ' A' ' 95' ' ' CYS . 68.3 m80 -97.29 142.1 24.03 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 116.367 -0.379 . . . . 73.13 111.328 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -63.38 -34.76 65.02 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.575 2.183 . . . . 74.14 113.263 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.38 3.71 45.95 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.317 0.488 . . . . 71.14 112.317 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB1' ' HG ' ' A' ' 49' ' ' LEU . . . -59.51 -50.36 74.22 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.107 0.41 . . . . 72.13 112.107 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -46.9 -33.69 4.78 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.306 0.484 . . . . 62.12 112.306 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -60.58 -46.55 89.82 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.202 0.525 . . . . 72.05 111.419 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 33.6 mmtp -90.87 8.35 35.38 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.29 -0.413 . . . . 65.23 111.813 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 55' ' ' ALA . 79.3 mt -96.48 -55.71 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 120.808 0.337 . . . . 75.22 110.38 171.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.18 -127.67 27.32 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 116.049 -0.523 . . . . 61.5 113.794 176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HG2' ' OG1' ' A' ' 83' ' ' THR . 73.7 Cg_endo -71.64 -22.34 24.33 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.044 2.496 . . . . 74.22 113.676 -176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.51 175.33 28.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.665 -0.778 . . . . 73.1 113.708 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.573 HG22 HH22 ' A' ' 82' ' ' ARG . 94.6 t -97.24 114.31 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.984 0.421 . . . . 52.22 111.798 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -56.0 5.15 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 74.54 109.736 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -170.64 176.03 4.42 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.275 0.56 . . . . 73.24 111.451 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -119.34 149.45 41.8 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.809 -0.632 . . . . 72.2 109.765 170.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -136.29 134.66 38.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.001 0.429 . . . . 53.25 111.753 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -88.4 103.45 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.233 -0.44 . . . . 53.35 110.084 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 79.6 ttt180 -123.46 155.58 37.2 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.575 -0.284 . . . . 75.01 111.008 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.7 p -58.74 159.5 6.69 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.446 0.906 . . . . 64.34 113.446 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.659 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -145.7 -178.08 5.92 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.511 -0.768 . . . . 60.54 111.143 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -71.87 167.92 19.0 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.714 0.293 . . . . 71.02 111.417 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 60.62 18.22 8.21 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.988 0.423 . . . . 73.23 111.39 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.84 29.18 73.5 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 116.242 -0.435 . . . . 41.04 113.352 -176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 p -102.43 -169.24 1.64 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.183 0.516 . . . . 74.32 111.795 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -127.0 172.04 10.82 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.504 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 99.6 m -146.13 144.43 29.97 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 111.969 0.359 . . . . 52.42 111.969 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -83.81 108.73 17.02 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.274 -0.421 . . . . 70.14 110.309 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.543 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 46.4 m95 -87.88 126.85 35.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.233 0.54 . . . . 75.24 112.247 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.541 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 60.1 mt -87.73 95.18 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.59 -0.732 . . . . 45.12 111.107 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.62 124.08 29.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.091 0.472 . . . . 63.11 111.078 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.573 HH22 HG22 ' A' ' 63' ' ' VAL . 5.7 mmp_? -93.76 147.21 23.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.385 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 61' ' ' PRO . 46.7 p -61.78 -21.8 64.88 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.45 -0.341 . . . . 55.41 111.691 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.44 -24.71 67.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.226 0.536 . . . . 73.54 111.41 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.43 -7.58 30.36 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 115.948 -0.569 . . . . 54.3 112.125 -171.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.8 t -83.28 176.03 9.45 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.622 0.369 . . . . 63.24 111.96 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.49 177.87 8.53 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.778 0.658 . . . . 72.42 112.778 -176.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 80' ' ' ILE . 9.1 tp10 -169.68 155.46 5.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.586 -0.734 . . . . 70.02 110.466 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -133.08 112.53 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.034 0.445 . . . . 75.42 110.789 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.25 136.89 43.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.346 0.594 . . . . 74.43 111.796 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.2 p -78.01 88.16 4.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.133 -0.485 . . . . 73.11 110.917 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -48.4 -41.11 28.11 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.94 -0.573 . . . . 74.1 112.505 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.659 ' HG3' ' H ' ' A' ' 94' ' ' LYS . 59.2 pttt -67.94 -63.53 1.04 Allowed 'General case' 0 CA--C 1.542 0.637 0 O-C-N 122.143 -0.348 . . . . 74.45 111.245 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.659 ' H ' ' HG3' ' A' ' 93' ' ' LYS . 11.5 mptt -80.8 72.92 7.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.366 0.603 . . . . 75.52 110.758 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.65 ' SG ' ' NE2' ' A' ' 52' ' ' HIS . 46.8 t -150.45 13.47 0.75 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.477 -0.783 . . . . 65.21 110.931 178.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.481 HG21 ' HD3' ' A' ' 17' ' ' LYS . 97.9 t -150.38 93.1 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.456 0.702 . . . . 73.5 109.597 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.3 mt -140.06 179.99 6.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 44.23 110.646 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -150.68 129.15 12.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.444 -0.344 . . . . 74.02 111.004 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -62.55 88.17 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.448 0.642 . . . . 52.21 112.2 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -85.6 6.76 25.89 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.624 0.726 . . . . 74.01 110.967 173.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -134.39 150.54 50.9 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.351 -0.84 . . . . 62.5 108.793 167.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -84.18 24.72 0.91 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.347 0.594 . . . . 72.24 111.589 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -134.77 -49.05 0.75 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.606 -0.725 . . . . 52.44 109.994 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--O 1.255 1.389 0 CA-C-O 118.821 -0.609 . . . . 75.42 111.209 169.373 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.6 mmt . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.409 0.147 . . . . 52.22 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.77 162.83 34.51 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.639 0.607 . . . . 54.21 112.639 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -142.56 9.59 1.81 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.67 0.747 . . . . 62.11 110.178 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 5' ' ' GLN . . . -150.62 -165.12 2.18 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.723 -0.671 . . . . 75.1 110.851 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 4' ' ' ALA . 98.3 mt-30 72.57 149.95 0.13 Allowed Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 123.072 0.549 . . . . 73.23 112.245 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.75 162.88 23.46 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 122.595 2.197 . . . . 74.45 112.785 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.5 mp -78.15 84.45 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.243 0.544 . . . . 74.03 110.677 -177.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -88.38 123.18 32.69 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.61 179.039 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 48' ' ' ALA . 68.0 mt -137.0 115.62 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 111.689 0.255 . . . . 74.21 111.689 178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.78 30.79 16.73 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.207 0.817 . . . . 74.11 113.207 173.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.04 23.08 46.53 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.887 -0.673 . . . . 42.45 112.057 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -128.08 95.93 4.32 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.924 0.392 . . . . 72.04 109.982 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 12.1 pt-20 -82.79 105.69 14.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.471 0.653 . . . . 73.25 111.749 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 77.1 m-85 -91.13 117.09 29.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.088 -0.505 . . . . 71.33 110.768 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 -0.47 4.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.113 0.783 . . . . 54.32 113.113 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -167.86 152.29 6.52 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.341 -0.224 . . . . 75.24 111.116 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 23.4 mmmt -51.79 -48.15 63.92 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 111.672 0.249 . . . . 62.4 111.672 175.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.71 70.31 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 120.769 0.319 . . . . 71.53 111.771 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.47 -41.69 90.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.211 0.529 . . . . 73.24 111.046 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -47.53 66.81 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.185 -0.461 . . . . 53.33 111.83 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 77.9 mt -61.95 -42.64 99.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.883 0.373 . . . . 70.21 111.515 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.387 -0.369 . . . . 75.41 111.489 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.57 -49.48 76.49 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.089 0.471 . . . . 65.45 110.634 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.8 mtt -58.9 -40.38 84.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.985 -0.552 . . . . 74.45 111.247 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -57.08 -48.71 77.91 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.444 -0.344 . . . . 72.21 111.251 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.2 t -56.58 -58.42 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 112.228 0.455 . . . . 73.31 112.228 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -63.47 -39.33 94.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.782 0.325 . . . . 72.44 111.331 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.25 -45.03 92.27 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.19 0.519 . . . . 75.14 111.374 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.554 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -74.11 -9.72 58.91 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.023 -0.535 . . . . 72.33 112.192 -177.141 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -67.11 -35.99 80.96 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 109.538 -0.541 . . . . 74.54 109.538 174.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' HB2' HG21 ' A' ' 68' ' ' VAL . 49.3 m-85 -93.85 154.75 17.56 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.011 -0.541 . . . . 74.04 111.454 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 34' ' ' GLY . 34.2 mtp180 -91.09 165.49 21.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.276 -0.42 . . . . 73.32 110.939 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.58 26.19 0.05 OUTLIER 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.102 2.534 . . . . 74.32 114.746 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -154.16 14.04 0.55 Allowed Glycine 0 CA--C 1.527 0.829 0 O-C-N 122.039 -0.413 . . . . 73.33 112.603 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 3.1 m-20 -94.64 160.66 14.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.511 0.672 . . . . 71.01 112.419 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.7 mm -100.14 135.61 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 115.513 -0.767 . . . . 64.5 110.764 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 62.2 t -69.22 135.41 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 116.425 -0.352 . . . . 70.21 111.759 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -62.67 165.35 6.55 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.236 0.541 . . . . 61.45 112.185 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.7 m -59.85 -48.6 81.02 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.442 0.534 . . . . 74.21 112.442 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.45 -54.97 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.061 0.458 . . . . 74.25 111.458 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.37 -41.35 69.08 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.97 -0.559 . . . . 73.33 111.035 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.44 -44.41 98.06 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 116.044 -0.525 . . . . 65.21 112.545 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.13 69.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.052 0.453 . . . . 52.13 111.54 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.57 -48.07 76.34 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.269 0.557 . . . . 74.41 110.656 173.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.33 -37.07 79.47 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.864 -0.607 . . . . 61.0 111.867 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' GLY . 98.2 t -56.2 -51.68 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 120.709 0.29 . . . . 74.24 111.228 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.82 -45.88 92.72 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.042 0.449 . . . . 73.22 111.233 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HB2' HG21 ' A' ' 9' ' ' ILE . . . -59.58 -29.93 68.3 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.093 -0.503 . . . . 43.31 111.775 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.94 -48.31 10.11 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.004 0.372 . . . . 75.52 112.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 46' ' ' VAL . 52.1 mtmt -57.86 -27.01 62.85 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.922 0.712 . . . . 63.54 112.922 -175.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -82.4 19.06 1.3 Allowed 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.2 0.524 . . . . 63.54 111.894 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -94.36 151.45 39.42 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 122.877 0.471 . . . . 75.31 111.227 172.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.25 -25.63 18.53 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.103 1.869 . . . . 71.5 111.151 168.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.85 -2.35 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.207 -0.906 . . . . 73.35 112.126 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.8 -45.61 40.51 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.314 0.857 . . . . 62.04 113.314 -173.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 t -46.9 -50.12 19.25 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.77 0.655 . . . . 74.54 112.77 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -67.8 -30.42 69.84 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.211 0.529 . . . . 73.21 111.286 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -84.94 -7.12 59.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.009 -0.542 . . . . 72.21 111.771 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 75.4 mt -111.81 -60.34 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 112.064 0.394 . . . . 74.12 112.064 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.11 -113.36 5.7 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 114.304 0.481 . . . . 53.0 114.304 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 72.5 Cg_endo -75.38 -27.11 9.69 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.026 2.484 . . . . 63.14 114.52 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.43 176.19 21.65 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 120.43 -0.89 . . . . 44.31 113.889 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.809 HG22 HH12 ' A' ' 82' ' ' ARG . 29.4 t -90.99 117.78 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 112.246 0.462 . . . . 71.42 112.246 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 14.2 ttt180 -90.2 -60.8 1.83 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.814 0.34 . . . . 74.33 110.206 170.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.457 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.1 p-10 -171.54 -176.32 1.79 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.004 -0.544 . . . . 62.1 110.817 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.5 m-85 -125.56 154.62 41.91 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.436 -0.347 . . . . 72.43 110.307 173.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -128.97 147.36 50.85 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.872 0.368 . . . . 74.11 111.437 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 31' ' ' TYR . 95.7 t -103.19 119.62 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.879 0.371 . . . . 54.03 111.561 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 79.0 mtp180 -134.7 178.3 7.11 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.804 0.335 . . . . 74.51 111.019 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 m -76.66 159.2 30.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.971 0.415 . . . . 72.13 111.837 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 77' ' ' CYS . . . -127.84 -75.68 0.57 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.769 0.319 . . . . 73.43 111.108 177.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.14 -162.01 0.56 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 110.146 -0.316 . . . . 73.01 110.146 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -56.14 -48.89 75.37 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.203 0.525 . . . . 51.32 111.255 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.72 42.3 1.35 Allowed Glycine 0 CA--C 1.529 0.916 0 C-N-CA 121.303 -0.475 . . . . 42.1 113.305 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.5 p -126.17 170.97 11.27 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.044 0.45 . . . . 74.25 111.208 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -117.69 171.71 7.85 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.248 -0.433 . . . . 75.23 111.735 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 29.9 p -155.07 158.58 39.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.826 0.346 . . . . 65.22 111.279 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -94.83 131.15 41.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.121 0.486 . . . . 53.21 111.395 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.543 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 29.8 m95 -107.92 138.98 43.23 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.002 -0.545 . . . . 75.25 111.694 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.2 mt -94.82 112.24 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 115.789 -0.641 . . . . 72.23 112.044 -176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.05 117.2 33.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.924 0.393 . . . . 72.42 110.936 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.809 HH12 HG22 ' A' ' 63' ' ' VAL . 34.8 mmt180 -104.62 149.25 25.7 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.097 0.475 . . . . 72.22 112.125 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -55.84 -28.3 55.71 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.785 -0.643 . . . . 65.24 112.085 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.55 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 23.4 t70 -55.46 -33.53 63.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.326 -0.397 . . . . 43.44 111.845 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.9 -26.82 7.76 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.34 -0.457 . . . . 53.24 112.518 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 p -73.77 155.92 38.37 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.917 0.389 . . . . 73.31 111.488 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.48 41.99 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.254 0.549 . . . . 61.04 112.265 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -135.28 -171.77 2.9 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.994 -0.548 . . . . 72.43 110.722 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 79' ' ' TRP . 15.8 ptt180 -140.81 171.97 13.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 110.128 -0.323 . . . . 73.23 110.128 172.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -152.25 128.84 10.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.238 0.542 . . . . 73.44 111.833 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 m -85.41 95.42 9.25 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.146 -0.479 . . . . 72.01 111.044 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -53.14 -29.12 29.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 112.724 0.638 . . . . 64.32 112.724 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -68.02 -22.56 64.97 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.693 0.627 . . . . 73.35 112.693 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.05 -7.43 57.02 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 111.909 0.337 . . . . 73.33 111.909 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 50.1 t -103.51 82.04 1.99 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.175 0.512 . . . . 55.11 110.596 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.437 HG22 ' HE2' ' A' ' 17' ' ' LYS . 61.1 t -113.7 -67.42 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.16 -0.473 . . . . 60.41 111.391 -178.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 43.5 mt -158.37 -176.96 6.2 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.12 0.486 . . . . 75.42 111.317 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.05 143.72 49.76 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 109.288 -0.634 . . . . 72.25 109.288 174.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 53.07 56.37 7.62 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.458 0.647 . . . . 72.11 111.193 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -149.94 123.41 9.07 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.981 -0.554 . . . . 74.34 111.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -153.13 104.52 2.81 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.205 0.526 . . . . 71.12 111.37 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -100.27 138.18 37.68 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.897 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -113.32 107.59 16.09 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.223 0.535 . . . . 73.54 111.553 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.574 -0.727 . . . . 72.34 111.02 176.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 74.02 111.125 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.87 85.85 5.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.888 0.375 . . . . 74.14 111.308 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -167.11 149.55 6.16 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.388 -0.369 . . . . 74.52 111.684 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.87 118.74 23.16 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.436 -0.347 . . . . 63.01 110.399 172.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 20.3 pt20 -57.64 134.41 82.52 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.234 0.457 . . . . 53.41 112.234 -174.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 5' ' ' GLN . 17.3 Cg_exo -68.93 147.17 67.59 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.537 2.158 . . . . 70.21 111.89 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.499 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -84.73 106.61 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 120.95 0.405 . . . . 64.21 111.064 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 121.53 44.31 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.891 0.376 . . . . 61.45 110.46 178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.3 mt -131.98 118.22 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 116.432 -0.349 . . . . 72.14 111.564 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.9 24.67 14.72 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.615 0.598 . . . . 74.33 112.615 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.24 -6.66 61.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 74.25 112.887 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -95.19 108.79 20.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.538 -0.389 . . . . 74.22 110.544 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -83.58 129.32 34.96 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.194 0.521 . . . . 73.22 111.567 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 70.3 m-85 -122.65 136.01 54.76 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.367 -0.379 . . . . 72.24 111.43 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.34 82.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.12 0.415 . . . . 74.45 112.12 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.59 173.71 11.37 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.159 0.504 . . . . 75.24 111.575 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HE2' HG22 ' A' ' 96' ' ' VAL . 34.3 tptt -58.23 -39.24 78.57 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.036 -0.529 . . . . 71.43 111.769 -178.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.95 -31.89 30.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.69 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.586 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 41.2 m-20 -65.66 -53.22 44.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.426 -0.352 . . . . 72.13 111.487 176.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.61 -42.97 89.41 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.011 0.434 . . . . 75.14 111.37 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.01 -41.56 99.59 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.091 -0.504 . . . . 71.34 111.07 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.74 -46.66 88.65 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.795 0.331 . . . . 72.25 111.42 177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.16 -57.34 13.27 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.489 -0.323 . . . . 71.11 110.709 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.701 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 73.7 mtm -55.61 -34.41 64.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.249 0.462 . . . . 73.32 112.249 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.81 -52.55 56.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.91 0.386 . . . . 74.11 111.231 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.0 t -61.46 -53.52 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.279 -0.419 . . . . 64.12 111.6 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.701 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 19.3 ptm -56.3 -38.42 71.22 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.8 0.333 . . . . 64.43 110.977 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.85 -47.48 83.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.948 0.404 . . . . 73.11 111.285 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -75.67 -13.11 60.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.94 0.4 . . . . 73.23 111.334 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.06 -34.23 59.59 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.994 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -84.49 155.01 22.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.01 0.433 . . . . 75.05 110.544 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -87.8 161.35 44.77 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.648 -0.251 . . . . 74.32 110.331 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 59.1 Cg_endo -71.19 52.14 1.44 Allowed 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 122.674 2.249 . . . . 74.33 113.411 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.76 21.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 CA-C-N 116.055 -0.52 . . . . 53.34 112.941 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -110.31 160.78 16.24 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.285 0.564 . . . . 72.53 112.403 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 67' ' ' GLU . 47.2 mm -91.61 137.57 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.63 -0.714 . . . . 64.02 110.313 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.33 140.19 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 120.939 0.4 . . . . 51.44 111.415 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.9 m -63.3 161.16 14.4 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.45 111.792 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.1 m -60.54 -48.76 80.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.892 0.33 . . . . 71.51 111.892 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.31 -51.48 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.139 0.495 . . . . 63.01 111.314 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -40.23 72.29 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.861 -0.609 . . . . 73.33 110.828 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.62 -42.49 99.69 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 116.017 -0.538 . . . . 65.12 112.601 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.67 -36.46 67.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.068 0.461 . . . . 41.22 111.33 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.44 -45.89 82.05 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.991 -0.55 . . . . 75.21 110.543 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.64 -38.09 88.9 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.18 -0.464 . . . . 60.52 112.057 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG22 HG11 ' A' ' 63' ' ' VAL . 91.0 t -59.26 -48.41 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.178 0.513 . . . . 61.25 110.668 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -61.84 -47.55 84.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.89 -0.596 . . . . 75.21 111.256 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.377 -0.374 . . . . 63.51 111.072 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.72 -44.11 94.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.249 -0.432 . . . . 62.35 111.236 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.79 -33.67 61.73 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.115 0.483 . . . . 65.0 111.4 175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.73 34.91 0.4 Allowed 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 112.35 0.5 . . . . 75.22 112.35 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -122.59 145.49 45.09 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 122.627 0.371 . . . . 74.35 111.197 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.23 -15.92 35.44 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.457 2.105 . . . . 70.24 112.165 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -100.88 13.88 33.62 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.013 -0.539 . . . . 50.41 111.234 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.85 -59.89 2.78 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.583 0.586 . . . . 65.45 112.583 -174.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -48.81 -39.58 25.94 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.455 0.539 . . . . 64.42 112.455 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -71.91 -39.05 69.79 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.917 0.389 . . . . 62.43 111.881 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -87.0 -12.46 47.37 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.038 0.384 . . . . 74.3 112.038 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.1 mt -93.69 -57.48 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 122.069 -0.394 . . . . 70.34 111.326 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.66 -125.5 37.11 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 121.398 -0.43 . . . . 53.34 113.079 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.79 -21.15 25.33 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.724 2.283 . . . . 65.0 113.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.13 169.85 16.76 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 120.758 -0.734 . . . . 74.43 113.71 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.488 HG22 HH22 ' A' ' 82' ' ' ARG . 61.2 t -91.09 124.77 43.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 111.867 0.321 . . . . 73.4 111.867 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 72.9 ttt180 -93.67 -65.88 0.96 Allowed 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.604 -0.271 . . . . 73.23 110.868 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 2.4 p-10 -158.08 -175.84 5.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.767 0.318 . . . . 53.31 111.604 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -138.25 129.59 27.52 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.523 -0.308 . . . . 74.52 111.411 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD13 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -99.59 145.34 27.65 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.914 0.387 . . . . 72.54 111.269 172.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.81 116.78 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.549 -0.296 . . . . 60.13 111.145 175.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' PRO . 53.5 mtt180 -136.3 -178.49 5.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.674 0.273 . . . . 73.43 110.941 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 60.2 p -82.22 163.56 21.8 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.083 0.468 . . . . 65.24 111.391 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -121.78 -63.7 1.28 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.097 -0.501 . . . . 64.32 110.784 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -113.15 -157.59 0.63 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.029 -0.532 . . . . 64.04 110.641 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -57.7 -50.86 71.79 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.068 0.396 . . . . 74.34 112.068 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -128.44 35.42 2.69 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.959 -0.639 . . . . 40.4 113.301 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.0 p -127.67 158.24 38.1 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.051 0.453 . . . . 53.34 111.596 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.2 mt-30 -119.4 176.8 5.17 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.126 -0.488 . . . . 55.52 110.762 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 89' ' ' ARG . 41.9 t -160.54 146.08 14.83 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.007 0.432 . . . . 74.34 111.875 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.08 137.53 34.06 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.15 -0.477 . . . . 64.3 110.751 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -104.84 122.12 45.1 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.349 0.595 . . . . 74.02 111.726 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 ' NE ' ' A' ' 82' ' ' ARG . 51.9 mt -80.64 92.83 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.627 -0.715 . . . . 64.02 111.882 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.497 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.2 mm? -81.53 117.64 22.09 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.165 0.507 . . . . 71.53 111.009 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.488 HH22 HG22 ' A' ' 63' ' ' VAL . 5.0 mmp_? -86.22 158.23 19.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.064 -0.516 . . . . 74.41 111.237 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -64.83 -15.78 62.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.808 0.337 . . . . 73.01 111.11 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -63.71 -33.83 76.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.444 0.64 . . . . 73.12 110.709 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.8 -24.81 10.66 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 115.608 -0.724 . . . . 65.2 111.897 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 m -66.97 157.07 34.27 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.889 0.375 . . . . 53.43 111.618 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.497 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -119.5 -178.36 3.59 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.509 0.559 . . . . 74.22 112.509 179.163 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.56 166.39 8.24 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.26 -0.645 . . . . 75.4 109.26 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.446 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 3.1 ptm180 -138.52 134.86 34.47 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.725 -0.609 . . . . 63.54 111.497 176.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -124.37 113.74 18.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.192 0.52 . . . . 74.25 111.846 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.77 81.78 0.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.069 0.461 . . . . 72.35 110.601 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -52.86 -25.86 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.64 0.978 . . . . 64.41 113.64 -174.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -60.98 -28.2 68.83 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.665 0.269 . . . . 65.22 111.595 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -104.18 75.72 1.28 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.422 0.63 . . . . 73.33 110.82 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.2 t -166.53 47.0 0.07 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.415 -0.811 . . . . 25.12 110.378 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.527 HG22 ' HE2' ' A' ' 17' ' ' LYS . 39.8 t -120.13 -72.06 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.44 0.638 . . . . 34.11 111.411 -176.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -155.16 108.27 2.79 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.674 -0.862 . . . . 72.21 108.674 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -162.54 102.23 1.06 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.153 0.502 . . . . 71.41 111.902 -169.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -61.89 140.34 58.3 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.881 -0.599 . . . . 54.3 111.904 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -47.48 106.82 0.1 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.786 -0.643 . . . . 75.52 112.487 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -167.11 142.21 4.05 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 109.495 -0.557 . . . . 62.41 109.495 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -57.84 143.34 42.76 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.736 0.643 . . . . 54.4 112.736 -172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -59.13 145.71 41.43 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.713 -0.676 . . . . 73.2 111.914 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.7 m170 . . . . . 0 C--O 1.253 1.268 0 CA-C-O 118.624 -0.703 . . . . 64.35 111.199 172.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.745 0.307 . . . . 52.33 111.563 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.39 167.35 12.42 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.117 0.414 . . . . 53.13 112.117 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 3.4 mppt? -87.59 -3.16 58.99 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.297 -0.41 . . . . 73.44 111.565 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.37 97.89 11.06 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.246 0.462 . . . . 61.32 112.246 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.78 143.7 28.43 Favored Pre-proline 0 N--CA 1.469 0.508 0 CA-C-N 116.464 -0.334 . . . . 60.42 110.787 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.94 144.3 56.98 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.793 2.329 . . . . 74.42 113.627 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.494 HG23 ' NH1' ' A' ' 51' ' ' ARG . 2.3 mp -68.8 94.09 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.031 0.443 . . . . 64.5 110.273 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.51 113.87 24.54 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.325 -0.398 . . . . 72.24 110.941 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -131.6 117.07 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.367 -0.378 . . . . 65.31 111.109 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.8 27.13 15.62 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.456 0.539 . . . . 73.25 112.456 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.2 63.29 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.468 -0.396 . . . . 74.44 113.142 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -99.33 109.53 22.13 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 122.516 -0.402 . . . . 75.55 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -91.98 109.17 20.51 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.077 0.465 . . . . 72.31 111.582 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -100.5 104.02 15.38 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.411 -0.359 . . . . 74.42 111.269 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.17 68.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.213 0.53 . . . . 65.12 111.396 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 9.1 tpp180 -110.49 130.3 55.59 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.264 -0.425 . . . . 41.03 111.06 177.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.701 ' HE2' HG22 ' A' ' 96' ' ' VAL . 52.9 tptt -55.65 -41.55 73.75 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.96 0.41 . . . . 64.01 111.19 175.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.11 70.26 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.737 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . 28.5 t0 -66.43 -42.11 88.19 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.296 0.569 . . . . 74.41 110.14 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 24' ' ' MET . . . -59.84 -48.7 80.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.941 -0.572 . . . . 73.12 111.075 173.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 17' ' ' LYS . 80.3 mt -60.26 -37.11 79.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.961 -0.563 . . . . 74.01 111.219 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.96 -61.68 2.45 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.049 -0.523 . . . . 60.1 110.993 176.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.3 -46.47 62.52 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.937 0.399 . . . . 74.41 111.626 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 66.6 mtt -57.4 -42.38 82.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.141 -0.481 . . . . 71.22 111.528 178.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HA ' ' HB3' ' A' ' 28' ' ' LEU . 52.0 tttp -82.5 -22.07 35.23 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.634 0.605 . . . . 72.23 112.634 -177.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' ALA . 71.5 t -59.9 -47.29 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.898 -0.501 . . . . 71.4 110.699 175.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.41 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 25.5 ptt? -73.7 -36.21 65.24 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.379 -0.373 . . . . 70.24 111.102 175.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HB3' ' HA ' ' A' ' 25' ' ' LYS . 57.1 tp -56.79 -44.91 82.38 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.073 0.463 . . . . 75.32 111.548 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -74.3 -14.08 60.85 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.071 -0.513 . . . . 73.24 111.773 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -79.54 -33.85 41.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.938 0.399 . . . . 64.13 110.631 175.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -84.55 175.86 9.0 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.161 0.505 . . . . 64.02 111.266 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -119.99 155.34 55.47 Favored Pre-proline 0 N--CA 1.469 0.482 0 CA-C-N 116.295 -0.411 . . . . 75.31 111.099 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.23 75.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 122.76 2.307 . . . . 71.14 112.578 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.11 -10.66 0.76 Allowed Glycine 0 CA--C 1.528 0.874 0 CA-C-N 114.823 -1.081 . . . . 70.15 112.913 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.84 152.27 20.83 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.336 0.589 . . . . 74.32 112.192 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.28 144.51 9.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 115.829 -0.623 . . . . 73.21 111.586 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.69 145.35 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 116.479 -0.328 . . . . 74.4 111.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -64.92 162.13 17.04 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.041 0.448 . . . . 51.12 111.611 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.9 -42.07 99.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.885 0.374 . . . . 64.32 111.308 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.23 -54.3 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.031 0.443 . . . . 74.43 111.824 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 49.0 m-20 -71.8 -29.2 64.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.081 0.467 . . . . 73.04 111.031 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.69 -43.23 99.53 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.254 -0.498 . . . . 75.44 112.767 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.72 -37.78 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.986 0.422 . . . . 64.31 111.514 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.4 -46.39 88.83 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.111 -0.495 . . . . 70.53 110.691 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.73 -39.47 94.18 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.961 -0.563 . . . . 65.12 111.532 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' A' ' 50' ' ' LYS . 61.4 t -58.41 -50.6 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 120.735 0.303 . . . . 70.11 110.919 177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -56.85 -48.16 78.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.115 0.483 . . . . 73.42 111.278 175.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -33.01 67.56 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.142 -0.481 . . . . 63.33 111.409 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 80' ' ' ILE . 56.6 tp -74.2 -44.47 53.19 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.293 -0.412 . . . . 72.13 111.588 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HE2' HG12 ' A' ' 46' ' ' VAL . 68.8 mttm -50.52 -49.31 56.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.115 0.483 . . . . 64.13 112.224 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' NH1' HG23 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -80.2 37.8 0.39 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.766 0.654 . . . . 73.14 112.766 -173.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -134.4 150.48 74.01 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.634 0.374 . . . . 72.22 111.313 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.03 -19.32 68.78 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.477 2.118 . . . . 72.24 112.756 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.34 -5.65 56.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.26 -0.427 . . . . 70.55 111.959 177.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.54 -68.46 0.19 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.402 0.89 . . . . 73.2 113.402 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -51.31 -32.43 25.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.806 0.669 . . . . 41.32 112.806 -174.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -77.23 -46.32 23.58 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.098 0.475 . . . . 55.12 111.59 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.686 ' HG2' ' HG2' ' A' ' 88' ' ' GLU . 56.1 mttp -87.1 -2.62 58.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.562 0.578 . . . . 72.13 112.562 -175.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.5 mt -107.2 -52.98 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.995 0.426 . . . . 64.5 110.911 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.57 12.99 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.975 -0.631 . . . . 53.43 112.052 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -78.67 -40.93 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.443 2.095 . . . . 74.54 112.718 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.34 176.86 48.24 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 120.981 -0.628 . . . . 72.2 113.5 -178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.24 130.24 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 120.827 0.346 . . . . 62.41 111.375 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.76 -54.93 4.55 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 120.806 0.336 . . . . 73.31 110.141 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -168.22 -177.41 3.26 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.286 -0.416 . . . . 72.05 111.162 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -119.85 145.42 46.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.743 0.306 . . . . 72.33 111.277 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -126.86 134.75 50.44 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.882 0.372 . . . . 73.34 111.534 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.9 t -91.09 106.27 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 120.701 0.286 . . . . 74.34 111.232 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -119.77 154.2 34.56 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.232 -0.292 . . . . 72.31 110.756 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.8 p -73.13 134.58 44.51 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.816 0.341 . . . . 73.2 111.108 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.97 -66.22 0.92 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.983 0.42 . . . . 51.14 111.461 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -110.57 -169.25 1.43 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.261 -0.427 . . . . 74.04 111.584 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -49.43 -31.22 9.3 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.849 0.685 . . . . 71.2 112.849 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.43 51.28 0.47 Allowed Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.881 -0.676 . . . . 62.44 113.111 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.0 p -140.39 147.41 39.72 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 122.331 -0.511 . . . . 73.11 111.635 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.521 ' HB2' HD21 ' A' ' 28' ' ' LEU . 43.8 mt-30 -107.68 149.37 28.2 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.155 -0.475 . . . . 62.53 110.658 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -141.8 139.83 32.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.956 0.408 . . . . 73.34 111.697 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -82.87 115.96 21.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.207 -0.451 . . . . 72.42 111.261 176.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -95.97 129.11 43.33 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.343 0.592 . . . . 74.32 111.53 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 49' ' ' LEU . 33.5 mt -90.58 109.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.599 -0.728 . . . . 64.31 111.353 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.5 mm? -82.18 92.63 6.92 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.167 0.508 . . . . 71.52 110.092 175.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' NH2' ' HB2' ' A' ' 88' ' ' GLU . 81.9 mtm180 -73.98 143.61 45.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.02 -0.536 . . . . 71.4 112.041 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.7 p -63.68 -13.76 45.83 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.237 0.542 . . . . 62.31 111.128 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.82 -27.54 51.81 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.565 -0.743 . . . . 62.5 111.562 172.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.84 22.76 11.63 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 121.311 -0.471 . . . . 74.25 112.138 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.1 m -151.18 136.45 17.62 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.626 0.371 . . . . 71.21 111.023 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -87.2 174.22 8.74 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 120.768 0.318 . . . . 73.35 111.802 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.686 ' HG2' ' HG2' ' A' ' 58' ' ' LYS . 8.6 tp10 -169.65 144.27 2.88 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.193 -0.458 . . . . 52.11 110.737 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -106.37 152.42 23.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.177 0.513 . . . . 75.32 111.968 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -137.34 123.83 20.84 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 73.35 110.785 174.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.1 m -80.38 86.19 5.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.109 0.481 . . . . 51.34 111.352 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -51.47 -36.02 42.47 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.793 0.664 . . . . 70.43 112.793 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -72.39 -25.17 61.4 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.725 0.639 . . . . 73.52 112.725 -177.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -87.91 -1.44 57.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.771 0.319 . . . . 72.11 111.463 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.43 79.41 2.12 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.02 0.438 . . . . 61.52 110.376 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.701 HG22 ' HE2' ' A' ' 17' ' ' LYS . 47.8 t -116.81 -69.86 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.052 -0.522 . . . . 64.14 111.213 -178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 98' ' ' GLU . 4.3 tt -176.89 148.26 0.64 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.945 -0.57 . . . . 74.53 109.871 -175.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.65 ' N ' HD23 ' A' ' 97' ' ' LEU . 47.3 mt-10 -58.77 137.21 57.8 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.015 0.436 . . . . 72.01 111.835 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -100.22 98.26 8.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.453 0.644 . . . . 71.12 109.484 169.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -65.4 85.48 0.06 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.234 -0.893 . . . . 71.42 112.364 -169.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -84.5 -40.66 17.39 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.134 -0.484 . . . . 74.41 111.436 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -110.69 138.3 47.25 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.824 0.345 . . . . 74.15 111.473 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -72.03 171.65 11.5 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.45 -0.341 . . . . 72.11 111.228 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 118.37 -0.824 . . . . 71.35 110.932 173.519 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mmm . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 120.949 0.404 . . . . 54.31 110.803 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.14 93.54 0.09 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.732 0.642 . . . . 64.21 112.732 -173.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -134.52 -174.34 3.54 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.095 -0.502 . . . . 74.1 110.68 173.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.37 84.96 0.58 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.047 0.451 . . . . 73.3 111.255 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -106.75 141.98 24.01 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 116.466 -0.334 . . . . 71.13 111.605 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -65.62 160.59 42.54 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.756 2.304 . . . . 55.23 113.363 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -78.03 96.56 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.42 -0.354 . . . . 62.14 110.54 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 32.3 tt0 -83.21 120.09 25.37 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.037 0.446 . . . . 73.24 111.362 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.8 mt -129.35 109.73 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 116.066 -0.516 . . . . 71.33 110.273 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.87 34.44 24.35 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.279 0.562 . . . . 75.11 111.197 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.3 -26.63 16.5 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 116.016 -0.538 . . . . 32.44 112.97 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -74.81 98.15 3.44 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.812 0.339 . . . . 74.52 111.119 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 8.0 pt-20 -95.74 103.29 15.16 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.262 0.553 . . . . 51.32 112.099 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -90.77 126.51 36.03 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.316 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.45 -17.89 64.29 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.01 0.433 . . . . 64.21 112.092 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 10.2 ptt85 -144.79 142.47 30.01 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.087 -0.506 . . . . 71.33 111.256 -177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.523 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -61.46 -39.32 90.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.982 -177.239 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.58 68.37 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.131 0.419 . . . . 71.43 112.131 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 16' ' ' ARG . 12.2 t70 -67.79 -40.71 83.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.19 0.519 . . . . 63.0 110.491 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.17 90.11 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.04 -0.527 . . . . 73.31 111.062 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.63 -48.04 82.67 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.908 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.82 -50.89 71.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.222 -0.444 . . . . 63.42 111.328 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -52.46 -55.36 22.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.923 0.392 . . . . 75.11 111.665 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.12 -31.0 71.98 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.081 0.4 . . . . 73.4 112.081 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HD2' HD23 ' A' ' 28' ' ' LEU . 26.9 tptp -70.99 -39.48 72.41 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.218 -0.301 . . . . 74.05 111.453 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' ALA . 70.8 t -50.1 -60.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.611 0.243 . . . . 73.32 111.604 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.603 ' SD ' ' HB3' ' A' ' 41' ' ' ASP . 24.8 ptt? -60.7 -37.61 82.26 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.752 0.31 . . . . 75.13 110.878 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' HD2' ' A' ' 25' ' ' LYS . 28.1 tp -57.99 -32.26 67.72 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.356 -0.383 . . . . 74.11 111.591 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 25' ' ' LYS . 67.6 m-80 -66.87 -35.06 79.16 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 122.174 -0.328 . . . . 50.43 111.353 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -79.36 -29.9 42.4 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.914 0.388 . . . . 75.43 111.933 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -86.08 111.41 20.3 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.875 0.369 . . . . 73.31 110.658 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -75.14 163.98 64.37 Favored Pre-proline 0 N--CA 1.469 0.51 0 O-C-N 122.347 -0.22 . . . . 70.3 111.005 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.33 76.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.301 2.001 . . . . 74.34 111.448 171.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.39 -11.78 0.26 Allowed Glycine 0 CA--C 1.528 0.897 0 CA-C-N 114.324 -1.307 . . . . 63.42 112.832 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.43 147.83 27.62 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.348 0.594 . . . . 73.31 112.439 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm -92.61 136.91 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.615 -0.721 . . . . 61.3 110.318 171.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.22 142.23 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.44 -0.346 . . . . 75.41 111.127 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.9 p -63.77 171.05 2.93 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.295 0.569 . . . . 72.24 112.136 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.4 m -68.93 -37.33 78.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.139 -0.482 . . . . 72.5 111.055 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.6 t -65.22 -59.57 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.906 0.384 . . . . 65.55 111.175 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.603 ' HB3' ' SD ' ' A' ' 27' ' ' MET . 48.2 m-20 -63.28 -36.85 85.03 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.203 0.525 . . . . 73.45 110.819 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -60.81 -41.5 99.18 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 116.069 -0.514 . . . . 63.1 112.907 176.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.86 80.19 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.137 0.494 . . . . 71.34 111.129 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.1 -49.13 78.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.877 -0.601 . . . . 72.25 110.709 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.26 -39.97 80.57 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.126 -0.488 . . . . 53.21 111.998 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 42' ' ' GLY . 95.4 t -57.16 -52.21 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 120.728 0.299 . . . . 73.11 111.141 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -62.97 -37.53 87.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 111.923 0.342 . . . . 64.32 111.923 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.72 -34.59 76.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.234 0.54 . . . . 72.1 111.066 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.619 HD22 HD13 ' A' ' 80' ' ' ILE . 56.4 tp -74.18 -51.34 15.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.343 176.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -50.43 -31.8 16.04 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.367 0.877 . . . . 62.43 113.367 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -84.55 24.64 0.98 Allowed 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.992 -0.442 . . . . 72.32 112.096 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -107.21 149.46 38.71 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 122.826 0.45 . . . . 74.31 111.066 172.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.77 -25.6 28.38 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.256 1.971 . . . . 64.52 111.977 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.13 -1.49 57.93 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.0 -0.546 . . . . 75.0 111.894 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -50.02 -55.29 15.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.544 0.572 . . . . 75.21 112.544 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -47.7 -47.58 29.82 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.546 0.572 . . . . 65.34 112.546 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.0 m -70.56 -34.23 71.99 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.09 0.472 . . . . 72.34 111.301 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 12.4 tppt? -75.46 -28.95 59.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.93 -0.577 . . . . 72.13 111.293 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.455 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 79.5 mt -81.91 -41.33 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.487 -0.324 . . . . 74.43 111.409 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.47 -120.39 19.69 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 114.065 0.386 . . . . 63.25 114.065 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.527 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 94.7 Cg_endo -75.05 -20.74 16.46 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.734 2.289 . . . . 64.45 114.056 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.58 161.77 10.17 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.727 -0.749 . . . . 33.44 113.502 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.574 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 53.1 t -84.64 112.77 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 120.939 0.399 . . . . 75.35 111.864 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HG2' HD22 ' A' ' 65' ' ' ASN . 76.7 ttt180 -91.86 -61.0 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.7 0.286 . . . . 54.34 110.933 177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.411 HD22 ' HG2' ' A' ' 64' ' ' ARG . 8.9 p30 -170.01 -175.3 1.99 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.006 0.432 . . . . 72.3 111.402 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -126.42 134.18 51.06 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.005 -0.543 . . . . 65.24 110.339 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -128.65 137.1 51.47 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.854 0.359 . . . . 61.45 111.138 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.42 136.48 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 112.589 0.588 . . . . 73.22 112.589 -176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.506 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 36.0 ttt180 -146.21 152.7 39.64 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.742 -0.663 . . . . 73.22 109.612 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.3 p -79.11 136.42 37.14 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.991 -0.443 . . . . 71.44 111.435 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.02 -72.13 0.72 Allowed 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 111.987 0.366 . . . . 70.32 111.987 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -106.38 102.41 11.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.619 0.247 . . . . 75.34 111.603 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 60.03 -81.9 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.02 0.528 . . . . 73.4 112.389 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.18 -9.94 6.43 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 121.475 -0.393 . . . . 32.23 113.162 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.1 p -73.29 127.26 32.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.391 0.615 . . . . 75.34 111.473 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -79.77 167.52 20.5 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.71 -0.677 . . . . 70.3 111.728 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' A' ' 89' ' ' ARG . 46.3 t -158.75 148.15 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.845 0.355 . . . . 73.32 111.37 175.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -83.38 118.31 23.62 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.391 -0.368 . . . . 73.43 111.365 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 15.7 m95 -93.88 134.66 36.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.249 0.547 . . . . 72.14 111.243 175.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.619 HD13 HD22 ' A' ' 49' ' ' LEU . 65.7 mt -92.47 109.66 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.783 -0.644 . . . . 74.33 112.23 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.0 mm? -85.12 127.21 34.15 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.336 0.589 . . . . 74.34 111.514 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.574 ' NH2' ' HA ' ' A' ' 63' ' ' VAL . 5.2 mmp_? -100.09 154.34 18.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.858 -0.61 . . . . 71.42 111.159 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.1 p -54.55 -43.41 71.98 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.257 0.465 . . . . 45.12 112.257 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 0.7 OUTLIER -70.9 10.83 0.47 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.247 0.832 . . . . 75.04 113.247 178.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 73.1 51.45 10.2 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.987 -0.625 . . . . 42.52 113.3 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.9 t -128.32 138.11 52.24 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 110.225 -0.287 . . . . 72.12 110.225 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -127.92 121.33 29.67 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.54 0.686 . . . . 72.23 112.341 -177.015 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -145.09 141.15 28.56 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.11 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.571 ' HD2' ' SG ' ' A' ' 77' ' ' CYS . 50.4 ptt85 -97.38 -178.83 4.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.525 0.678 . . . . 75.32 112.106 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -138.75 121.36 16.27 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.417 -0.81 . . . . 74.34 110.191 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.0 m -68.56 75.25 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.353 0.597 . . . . 71.13 111.428 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -56.66 -24.5 49.02 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.69 -0.686 . . . . 75.02 112.392 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -78.47 -13.15 59.97 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.447 0.536 . . . . 72.42 112.447 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -104.26 -2.81 25.11 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.144 0.424 . . . . 74.34 112.144 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.62 74.58 3.21 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.799 0.333 . . . . 71.42 110.259 176.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.523 HG22 ' HG3' ' A' ' 17' ' ' LYS . 33.6 t -141.92 -87.77 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 120.993 0.425 . . . . 72.21 111.928 -174.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 98' ' ' GLU . 3.0 tm? 162.79 157.57 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.081 -1.452 . . . . 74.34 107.081 -169.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.678 ' N ' HD13 ' A' ' 97' ' ' LEU . 41.8 mt-10 -48.29 98.2 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.044 0.757 . . . . 71.23 113.044 -177.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -124.75 25.51 7.43 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.592 -0.731 . . . . 63.35 110.307 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -74.97 74.16 2.18 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.578 0.704 . . . . 74.34 111.828 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -114.59 27.42 9.46 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.376 -0.829 . . . . 61.25 109.935 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -78.84 101.45 7.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.558 0.694 . . . . 73.13 112.344 -172.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -96.35 -177.45 3.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.513 -0.767 . . . . 62.54 109.867 171.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 61.3 m170 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 119.032 -0.509 . . . . 71.32 110.893 173.43 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ppp? . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.156 0.503 . . . . 75.21 111.66 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.75 126.39 34.96 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.154 0.502 . . . . 60.52 112.229 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.4 ' H ' ' HE1' ' A' ' 102' ' ' HIS . 17.2 tppt? -158.48 109.45 2.14 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.164 -0.471 . . . . 73.34 111.045 178.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.31 112.16 7.53 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.872 0.368 . . . . 65.32 111.238 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.12 154.53 47.17 Favored Pre-proline 0 N--CA 1.471 0.576 0 CA-C-N 116.624 -0.262 . . . . 71.32 110.502 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.06 131.83 45.8 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 121.97 1.78 . . . . 72.25 111.696 175.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 3.0 mp -67.27 90.72 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.06 0.457 . . . . 64.32 110.49 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.7 tm-20 -102.37 110.11 21.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.264 0.555 . . . . 74.1 111.096 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.0 mt -125.22 121.61 61.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.767 -0.652 . . . . 71.11 111.004 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.9 26.68 15.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.339 0.496 . . . . 72.14 112.339 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.87 -0.22 69.49 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.294 -0.479 . . . . 51.13 113.28 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -103.52 103.43 13.39 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.623 -0.339 . . . . 75.21 110.501 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 11.3 pt-20 -89.33 141.12 28.82 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.248 0.547 . . . . 75.42 111.653 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 90.2 m-85 -126.27 123.15 37.47 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.017 -0.538 . . . . 73.21 111.112 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -23.19 66.85 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.263 0.468 . . . . 73.14 112.263 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -147.35 143.09 27.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.528 -0.306 . . . . 71.22 110.601 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HG3' HG13 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -58.35 -39.58 79.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.911 0.386 . . . . 73.2 111.342 -177.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.98 -23.49 61.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.162 0.43 . . . . 74.21 112.162 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.2 -35.89 48.02 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.066 0.46 . . . . 61.04 110.838 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.41 93.02 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.121 -0.49 . . . . 43.32 111.289 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 93' ' ' LYS . 70.7 mt -56.42 -42.6 78.32 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.26 -0.427 . . . . 75.21 111.131 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.66 -49.87 75.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.991 -0.549 . . . . 61.24 111.279 177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -55.35 -48.47 74.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.931 0.396 . . . . 51.23 111.398 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.0 mtt -58.0 -40.73 81.49 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.304 -0.407 . . . . 45.11 111.218 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -64.2 -45.94 86.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.839 0.352 . . . . 70.04 110.465 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 22' ' ' ALA . 94.1 t -55.67 -52.96 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 111.906 0.336 . . . . 71.12 111.906 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.09 -28.06 67.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.087 -0.383 . . . . 74.3 111.22 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' A' ' 76' ' ' GLN . 47.8 tp -69.85 -18.42 63.43 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.098 0.475 . . . . 73.34 111.037 174.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -94.24 -29.8 14.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.037 0.446 . . . . 65.25 110.853 172.442 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -60.8 -38.87 86.85 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.312 0.577 . . . . 74.23 110.399 173.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -98.96 115.09 28.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.787 -0.642 . . . . 73.4 110.471 172.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' HB2' ' OD1' ' A' ' 35' ' ' ASP . 48.8 mtm180 -63.52 160.67 41.16 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.305 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HA ' HG12 ' A' ' 68' ' ' VAL . 37.5 Cg_endo -65.12 25.29 0.08 OUTLIER 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 122.778 2.319 . . . . 73.34 114.164 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 32' ' ' ARG . . . -152.37 24.89 0.87 Allowed Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.689 -0.291 . . . . 63.33 112.616 174.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' OD1' ' HB2' ' A' ' 32' ' ' ARG . 1.8 m-20 -118.05 161.77 19.28 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.353 0.597 . . . . 72.11 112.209 -178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.5 mm -97.56 132.85 41.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.654 -0.703 . . . . 74.32 111.153 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 66' ' ' PHE . 55.9 t -72.32 128.0 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 116.451 -0.341 . . . . 62.3 111.042 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.4 t -72.71 178.35 4.21 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.981 0.42 . . . . 64.52 112.043 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.5 m -60.08 -48.44 81.72 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.945 0.72 . . . . 64.2 112.945 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.25 -59.27 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.003 0.43 . . . . 74.52 111.954 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.48 -38.57 87.78 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.054 0.454 . . . . 73.42 111.002 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -62.34 -42.98 99.69 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.118 -0.492 . . . . 42.24 112.912 177.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.61 80.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.866 0.365 . . . . 75.13 111.287 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.26 -40.94 83.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.095 0.474 . . . . 62.22 110.494 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.85 -41.94 82.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.828 -0.624 . . . . 64.22 111.329 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.476 HG12 ' HE2' ' A' ' 50' ' ' LYS . 97.5 t -57.26 -47.7 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.928 0.394 . . . . 74.13 111.201 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.42 -43.7 89.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.108 0.48 . . . . 71.24 110.688 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.03 -24.45 66.19 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.045 -0.525 . . . . 32.24 111.456 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.9 tp -81.62 -48.15 12.11 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.277 -0.419 . . . . 63.43 111.091 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HE2' HG12 ' A' ' 46' ' ' VAL . 68.0 mttm -53.84 -28.26 34.67 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.155 0.798 . . . . 71.5 113.155 -178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.539 HH22 HD23 ' A' ' 97' ' ' LEU . 4.6 ptm180 -70.58 -14.33 62.45 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.092 0.405 . . . . 43.42 112.092 -177.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.461 ' HA ' ' HG2' ' A' ' 98' ' ' GLU . 62.3 m-70 -91.5 148.33 37.23 Favored Pre-proline 0 N--CA 1.474 0.775 0 N-CA-C 111.826 0.306 . . . . 70.14 111.826 -177.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.67 -22.76 27.46 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.251 1.967 . . . . 70.44 112.554 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.85 7.64 42.96 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.246 -0.434 . . . . 65.53 111.711 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.47 -53.84 26.65 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.02 0.748 . . . . 52.21 113.02 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -51.21 -33.41 27.56 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 112.902 0.704 . . . . 75.54 112.902 -175.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.1 m -73.87 -36.18 64.8 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.039 0.447 . . . . 70.2 111.871 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -83.59 -18.03 39.65 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.808 0.337 . . . . 72.5 111.395 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.8 mt -82.95 -41.61 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.08 0.467 . . . . 65.14 110.521 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.47 -134.9 41.94 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 116.041 -0.527 . . . . 75.12 112.966 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.73 2.1 8.79 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.645 2.23 . . . . 60.43 113.195 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.6 152.16 5.63 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 121.211 -0.518 . . . . 42.05 113.116 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -94.72 129.19 45.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.121 0.486 . . . . 73.32 111.318 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.415 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 44.3 ttm180 -91.24 -55.4 3.54 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.799 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.415 ' OD1' ' HG2' ' A' ' 64' ' ' ARG . 3.4 p-10 -168.01 -179.45 4.15 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.927 0.394 . . . . 75.3 111.053 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 74.3 m-85 -119.34 149.27 42.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.801 0.334 . . . . 74.44 110.842 176.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -128.68 146.48 50.86 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.868 0.366 . . . . 74.22 111.169 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 33' ' ' PRO . 98.5 t -102.45 125.54 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.001 0.429 . . . . 64.32 111.235 177.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 62.0 ttt180 -146.08 148.94 33.17 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.456 -0.338 . . . . 75.01 111.178 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 77.9 p -68.65 151.22 47.0 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.19 0.519 . . . . 72.55 112.317 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.18 -51.26 1.2 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.932 -0.576 . . . . 72.54 110.988 176.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.445 ' HB2' ' OG1' ' A' ' 75' ' ' THR . 24.0 m-20 -106.71 -164.27 0.98 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.874 175.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -51.86 -66.88 0.31 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.22 0.452 . . . . 75.42 112.22 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.14 28.06 5.69 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.939 -0.648 . . . . 53.42 113.817 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' A' ' 72' ' ' ASP . 78.3 p -129.24 128.77 43.96 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.099 0.476 . . . . 62.31 111.702 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -91.99 -176.38 4.39 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.169 0.509 . . . . 74.01 111.362 178.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.2 m -142.56 154.26 44.29 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.986 -0.552 . . . . 53.45 110.435 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -89.62 117.43 28.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.039 0.447 . . . . 74.23 111.363 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 31.8 m95 -94.79 128.47 41.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.884 -0.598 . . . . 63.23 111.749 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.405 HG12 ' CE2' ' A' ' 66' ' ' PHE . 56.0 mt -89.99 109.98 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.901 0.381 . . . . 72.02 111.53 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 87' ' ' GLU . 3.7 mm? -83.95 96.41 8.83 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.859 0.361 . . . . 60.23 110.428 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -79.34 148.4 32.08 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.585 -0.28 . . . . 73.53 111.407 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -58.4 -25.77 62.49 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.002 0.43 . . . . 74.4 111.254 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -53.02 -39.11 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.758 -0.655 . . . . 64.32 111.536 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.11 -30.84 6.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.932 -0.576 . . . . 34.23 112.518 -175.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.6 m -78.44 107.0 10.76 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 122.653 -0.322 . . . . 72.45 111.388 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.585 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.65 138.07 36.38 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.066 0.46 . . . . 73.24 111.671 178.386 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -136.95 131.63 33.28 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.904 0.383 . . . . 73.01 110.871 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -97.89 157.25 16.2 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.179 0.437 . . . . 71.23 112.179 -175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -132.89 141.5 48.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.961 0.41 . . . . 71.51 111.021 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.71 -16.01 55.38 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.341 0.867 . . . . 70.12 113.341 -173.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 p90 57.77 -61.11 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.91 1.284 . . . . 64.1 113.944 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HA ' HD22 ' A' ' 21' ' ' LEU . 22.1 ptmt -49.27 -32.71 11.36 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.76 0.652 . . . . 72.54 112.76 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.513 ' NZ ' ' HB3' ' A' ' 94' ' ' LYS . 8.4 mtpm? -81.3 76.63 8.23 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.01 0.433 . . . . 43.32 111.15 178.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 16.5 p -166.11 133.83 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.298 0.57 . . . . 40.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.472 HG13 ' HG3' ' A' ' 17' ' ' LYS . 56.5 t -138.25 -67.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.893 0.854 . . . . 64.4 109.081 175.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.539 HD23 HH22 ' A' ' 51' ' ' ARG . 41.1 mt -150.76 140.29 21.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.878 -1.056 . . . . 65.41 110.051 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -80.17 -4.97 55.2 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.348 0.594 . . . . 64.35 111.264 178.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -115.45 46.29 1.51 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.661 0.743 . . . . 73.3 109.094 166.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 97' ' ' LEU . 47.0 t-80 -66.95 91.07 0.19 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.205 -0.907 . . . . 64.23 113.084 -172.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -165.04 130.48 2.65 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.002 0.43 . . . . 60.33 111.286 172.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.4 ' HE1' ' H ' ' A' ' 3' ' ' LYS . 3.5 m-70 -149.61 110.42 4.3 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.089 0.471 . . . . 65.13 111.147 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -90.41 136.54 32.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.146 -0.479 . . . . 42.54 111.654 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.056 -0.973 . . . . 75.41 111.534 173.552 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 112.167 0.432 . . . . 75.12 112.167 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.2 176.48 9.72 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.156 0.503 . . . . 74.01 112.224 -177.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -86.17 -14.11 45.04 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.997 0.427 . . . . 61.13 110.95 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.66 84.23 0.19 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.064 0.459 . . . . 74.03 111.84 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.07 132.42 45.63 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.137 -0.483 . . . . 65.53 111.248 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -64.58 165.02 21.7 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.445 2.097 . . . . 74.51 112.437 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.1 mp -78.07 96.29 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.892 0.377 . . . . 74.12 110.686 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -92.8 120.45 33.18 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.82 0.343 . . . . 75.42 111.47 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -132.93 115.02 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.556 -0.293 . . . . 65.13 110.993 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.44 31.38 20.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.526 0.565 . . . . 70.05 112.526 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.81 8.09 80.23 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.041 -0.6 . . . . 51.23 113.063 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -107.16 106.15 16.49 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.935 -0.394 . . . . 71.34 109.935 175.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -89.69 114.41 26.06 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.409 0.623 . . . . 54.43 111.414 -179.051 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 92.5 m-85 -96.45 131.71 42.75 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.29 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.6 57.54 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.02 0.748 . . . . 73.24 113.02 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HG2' ' HB2' ' A' ' 19' ' ' ASP . 23.2 ptt-85 -165.27 160.39 18.3 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.371 0.268 . . . . 72.53 110.448 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.6 tmtt? -59.15 -42.05 89.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.782 0.325 . . . . 65.45 110.852 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 -24.95 67.49 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.228 -0.442 . . . . 65.31 111.77 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 38.4 t0 -71.21 -43.21 67.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.202 0.525 . . . . 63.31 109.976 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.041 -0.527 . . . . 61.21 111.042 174.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 78.7 mt -64.0 -39.47 94.19 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.128 -0.487 . . . . 73.45 110.993 177.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -60.17 -45.34 93.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.877 0.37 . . . . 75.52 111.299 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 27' ' ' MET . 71.9 t80 -58.38 -59.99 4.49 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.321 -0.4 . . . . 63.03 111.093 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 65.0 mtm -56.17 -29.18 60.48 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.114 0.413 . . . . 71.45 112.114 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -47.44 73.61 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.377 -0.202 . . . . 62.23 111.255 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 22' ' ' ALA . 88.9 t -56.52 -55.03 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.003 0.43 . . . . 65.42 111.384 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' PHE . 13.5 ptm -60.93 -37.21 81.53 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.222 -0.445 . . . . 73.3 111.717 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD21 ' O ' ' A' ' 76' ' ' GLN . 47.7 tp -62.0 -40.19 94.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.97 0.415 . . . . 72.01 111.48 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -66.85 -31.28 71.79 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.867 0.365 . . . . 74.43 111.399 179.436 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.35 -33.62 75.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.028 -0.533 . . . . 74.41 112.128 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 79.9 m-85 -100.47 141.58 33.12 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.322 0.582 . . . . 75.33 112.327 -177.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -86.26 166.49 28.12 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.724 -0.671 . . . . 73.04 110.505 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 25.0 Cg_exo -62.24 72.76 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.516 2.144 . . . . 62.21 112.366 173.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.1 -15.24 0.23 Allowed Glycine 0 CA--C 1.529 0.922 0 CA-C-N 115.369 -0.832 . . . . 65.33 113.351 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 54.6 m-20 -79.12 144.11 34.85 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.49 0.662 . . . . 71.2 112.006 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.8 mm -89.13 138.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.64 -0.709 . . . . 73.31 111.054 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.21 142.65 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.222 -0.445 . . . . 70.42 110.673 175.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -76.57 177.05 7.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.228 0.537 . . . . 53.44 112.099 -173.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.9 m -65.7 -28.8 69.34 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.132 -0.486 . . . . 44.12 111.35 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.4 t -73.34 -68.5 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.383 -0.371 . . . . 64.42 111.374 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -28.71 65.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.769 0.318 . . . . 64.31 111.481 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.506 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -55.96 -47.23 81.28 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 121.151 -0.547 . . . . 54.5 112.785 176.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.73 98.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.992 0.425 . . . . 64.14 111.124 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -54.72 -49.1 71.58 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.854 -0.612 . . . . 43.12 111.03 175.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.5 mt -61.52 -39.12 89.86 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.128 -0.487 . . . . 72.32 111.991 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' GLY . 84.9 t -60.22 -47.14 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 120.719 0.295 . . . . 55.43 111.364 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.7 -45.1 91.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.874 0.369 . . . . 72.21 111.258 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.26 -42.95 82.55 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.184 0.516 . . . . 70.5 111.025 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.42 -60.84 2.38 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.99 -0.55 . . . . 71.15 111.519 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -51.57 -32.64 29.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.112 1.153 . . . . 73.55 114.112 -172.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -74.28 15.45 0.33 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.886 -0.509 . . . . 71.31 112.325 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -112.9 137.95 22.02 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 122.662 0.385 . . . . 74.43 110.358 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.75 -34.51 98.31 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.656 2.237 . . . . 74.31 113.228 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.19 -5.94 59.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.413 0.523 . . . . 55.44 112.413 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -53.62 -45.28 70.06 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.76 0.652 . . . . 61.31 112.76 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -50.61 -35.67 31.42 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.651 0.611 . . . . 73.35 112.651 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -63.89 -22.04 66.73 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.973 0.416 . . . . 63.24 111.802 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 82' ' ' ARG . 41.3 mttm -113.55 15.07 19.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.369 0.604 . . . . 64.44 111.329 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.491 ' HA ' HH11 ' A' ' 82' ' ' ARG . 74.9 mt -104.75 -50.05 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.144 -0.48 . . . . 24.1 110.007 171.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.99 -111.51 3.63 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 116.076 -0.511 . . . . 72.44 113.725 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.84 -31.87 6.13 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.491 2.127 . . . . 43.11 112.987 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.98 165.97 14.73 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 120.655 -0.783 . . . . 71.51 114.129 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.53 HG13 ' NH2' ' A' ' 82' ' ' ARG . 68.6 t -87.78 120.65 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 122.634 0.373 . . . . 73.23 111.307 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HG2' HD22 ' A' ' 65' ' ' ASN . 73.8 ttt180 -90.38 -46.87 8.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.01 0.433 . . . . 71.03 110.662 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 6.5 p30 -174.58 -169.7 0.45 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.958 -0.564 . . . . 71.11 110.849 175.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.25 139.98 47.24 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.511 0.324 . . . . 75.31 110.66 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -117.46 151.66 36.62 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.981 0.42 . . . . 73.43 110.996 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 31' ' ' TYR . 83.3 t -103.47 116.51 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.429 -0.35 . . . . 74.3 110.722 176.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -132.61 153.55 50.93 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 122.383 -0.198 . . . . 62.24 111.512 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.4 m -50.84 149.63 3.35 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.541 1.311 . . . . 61.53 114.541 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.68 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -130.34 162.19 29.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.345 -0.843 . . . . 74.21 111.136 174.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -73.58 -6.62 47.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.9 0.704 . . . . 74.15 112.9 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -98.18 24.31 7.29 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.084 -0.385 . . . . 74.11 111.81 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.05 -40.16 2.65 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 120.993 -0.622 . . . . 74.34 112.755 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.4 p -79.73 -172.55 3.38 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.147 0.498 . . . . 61.44 111.279 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -106.99 -173.33 2.27 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.921 0.391 . . . . 65.21 110.815 176.525 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 71' ' ' ALA . 96.7 m -137.27 153.69 50.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.345 -0.389 . . . . 52.31 110.645 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -85.02 117.7 24.15 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.099 0.476 . . . . 74.21 110.598 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 29.9 m95 -95.61 137.05 35.21 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.886 0.85 . . . . 73.21 112.652 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.4 mt -81.82 91.02 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.594 -1.185 . . . . 70.42 111.889 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.4 mm? -81.66 117.04 21.69 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.158 0.504 . . . . 75.22 110.885 175.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.533 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -102.36 149.98 23.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.967 0.413 . . . . 71.01 111.968 -178.564 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.2 p -60.83 -19.52 59.96 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.178 0.514 . . . . 74.41 110.874 175.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -51.74 -50.55 60.37 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.602 -0.726 . . . . 75.03 111.427 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.6 -32.92 2.41 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.028 -0.533 . . . . 75.05 112.58 -176.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.9 p -86.17 169.63 12.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.037 0.446 . . . . 75.22 111.495 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.586 ' HB3' HD13 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -133.73 137.94 45.52 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.281 0.562 . . . . 72.45 112.002 177.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -110.19 -171.74 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.379 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -141.94 139.11 32.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.076 -0.39 . . . . 73.32 111.561 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -131.7 128.76 39.63 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.335 0.588 . . . . 73.12 110.763 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.5 p -94.29 105.55 17.54 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.404 0.621 . . . . 73.1 111.084 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -54.55 -23.34 16.21 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.289 0.848 . . . . 72.22 113.289 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -78.92 -24.1 44.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.859 0.361 . . . . 73.31 111.517 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -81.63 -23.39 37.03 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.159 0.504 . . . . 74.42 111.408 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 85.7 m -81.12 61.44 4.67 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.581 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.436 HG13 ' HG3' ' A' ' 17' ' ' LYS . 39.3 t -128.63 -78.3 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 121.264 0.554 . . . . 75.31 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 tt -157.87 -62.21 0.09 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.778 -0.646 . . . . 72.21 109.864 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.38 127.93 35.2 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.952 0.406 . . . . 63.14 111.494 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -79.36 45.01 0.63 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.523 0.678 . . . . 54.34 110.899 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -90.49 134.55 34.28 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.267 -0.879 . . . . 64.44 112.259 -168.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -79.3 -66.83 0.82 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.376 0.607 . . . . 65.44 111.198 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -76.16 73.48 3.0 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.581 -0.736 . . . . 72.23 110.724 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -82.51 -13.8 56.05 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.968 0.414 . . . . 74.53 111.815 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.739 -0.648 . . . . 54.43 110.901 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.577 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.784 0.326 . . . . 75.42 111.109 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.93 120.83 29.65 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.842 0.353 . . . . 75.34 111.548 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -92.82 11.57 26.6 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.899 0.38 . . . . 64.13 111.435 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.9 76.69 1.05 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.354 0.597 . . . . 75.01 110.265 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -88.78 153.92 50.06 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 116.081 -0.509 . . . . 71.11 111.908 -173.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.73 175.98 3.24 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.786 2.324 . . . . 63.12 113.45 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.0 mp -93.08 102.5 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.237 -0.438 . . . . 61.52 111.341 -175.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.99 111.74 22.7 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.042 0.449 . . . . 74.01 110.07 177.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.0 mt -124.39 116.06 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 116.144 -0.48 . . . . 64.24 111.929 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.46 25.83 13.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.384 0.883 . . . . 42.01 113.384 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.08 -2.56 35.32 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.121 -0.561 . . . . 62.32 113.255 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -111.07 111.94 23.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.055 0.455 . . . . 53.12 111.186 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -92.42 133.13 36.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.01 -0.541 . . . . 55.12 111.471 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.508 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 73.2 m-85 -129.79 129.93 44.69 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.069 -0.514 . . . . 71.4 111.075 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.69 -37.22 76.53 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.146 0.425 . . . . 74.4 112.146 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -125.99 173.68 8.98 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.199 0.523 . . . . 70.21 111.635 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -43.23 65.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.184 -0.462 . . . . 54.2 111.22 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.15 -28.37 52.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.022 -0.536 . . . . 65.15 112.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.508 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 98.3 m-20 -61.45 -57.72 11.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.271 -0.422 . . . . 64.34 111.759 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.61 81.98 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.089 0.471 . . . . 34.43 111.345 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD22 ' HA ' ' A' ' 93' ' ' LYS . 80.6 mt -61.19 -42.71 99.06 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.016 -0.538 . . . . 71.13 111.19 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.345 -0.389 . . . . 51.1 111.295 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.09 -51.27 64.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.035 0.445 . . . . 64.21 111.275 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.49 -39.69 92.2 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.558 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -62.03 -37.02 83.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.923 0.342 . . . . 71.44 111.923 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 22' ' ' ALA . 89.2 t -61.38 -60.41 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.715 0.293 . . . . 63.15 111.311 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.413 ' O ' ' HD2' ' A' ' 31' ' ' TYR . 26.9 ptt? -62.33 -32.6 73.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.738 0.304 . . . . 72.11 111.347 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.77 -46.41 81.49 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.072 0.463 . . . . 54.32 110.99 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -80.77 -3.2 50.07 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.824 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 1.6 tmt_? -83.68 -44.09 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.735 -0.468 . . . . 74.35 109.735 174.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.549 ' HB2' HG21 ' A' ' 68' ' ' VAL . 94.1 m-85 -80.77 144.48 32.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.012 0.434 . . . . 75.13 110.889 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 47.0 mtm180 -96.89 163.47 20.08 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.66 -0.245 . . . . 74.32 110.666 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 45.3 Cg_exo -56.69 76.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.636 2.224 . . . . 64.24 113.083 177.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ARG . . . 155.08 -21.0 0.57 Allowed Glycine 0 CA--C 1.53 1.011 0 CA-C-N 115.274 -0.875 . . . . 61.01 113.81 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.05 142.96 41.65 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.228 0.537 . . . . 34.24 111.936 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -90.5 132.83 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 115.979 -0.555 . . . . 75.11 111.344 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.9 t -66.18 140.04 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 115.914 -0.584 . . . . 73.11 111.587 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -66.39 169.36 7.5 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.068 0.461 . . . . 73.02 112.1 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -64.87 -51.04 64.17 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.192 -0.458 . . . . 73.24 112.194 -176.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.55 -49.81 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 121.091 0.472 . . . . 64.23 111.137 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.54 -45.63 69.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.966 -0.561 . . . . 72.41 111.128 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -63.89 -42.19 98.48 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 115.986 -0.552 . . . . 73.22 113.048 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.71 -39.75 74.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.05 0.453 . . . . 71.13 111.117 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.04 -45.97 91.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.129 -0.487 . . . . 62.24 110.294 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.1 -38.24 88.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.941 -0.572 . . . . 72.5 111.862 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' GLY . 89.7 t -62.06 -51.19 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 120.732 0.301 . . . . 70.43 111.189 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -62.27 -38.51 89.59 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.879 0.371 . . . . 55.3 111.099 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.45 80.81 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.171 0.51 . . . . 75.35 111.144 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.99 -42.96 75.82 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.035 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -55.1 -29.7 58.17 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.118 0.784 . . . . 62.02 113.118 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -86.89 22.13 2.08 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.891 -0.505 . . . . 74.41 111.725 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -116.54 143.63 31.63 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 122.676 0.39 . . . . 62.4 110.163 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.56 -47.18 26.95 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.536 2.157 . . . . 73.13 113.583 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -84.46 15.87 3.45 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.427 0.528 . . . . 50.41 112.427 -176.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.8 -65.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.242 0.46 . . . . 43.33 112.242 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -52.19 -36.68 52.56 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.269 0.47 . . . . 55.51 112.269 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.5 m -65.57 -29.69 70.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.791 0.329 . . . . 53.12 111.652 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.544 ' HD2' ' HG2' ' A' ' 88' ' ' GLU . 72.4 mmtt -99.47 -12.7 19.97 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.158 0.429 . . . . 73.21 112.158 -178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.9 mt -86.23 -45.99 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 120.991 0.424 . . . . 72.22 110.782 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.29 -114.8 6.83 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 116.14 -0.482 . . . . 61.15 113.071 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -76.46 -22.59 12.22 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.589 2.193 . . . . 61.44 112.92 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 150.83 159.72 8.97 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.279 -0.486 . . . . 61.15 113.245 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.67 126.89 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.972 0.415 . . . . 73.05 111.271 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.14 -53.67 5.36 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.007 0.432 . . . . 54.44 109.967 178.279 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -167.82 -173.31 2.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.992 0.425 . . . . 75.52 111.08 174.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -123.52 143.76 49.98 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.495 -0.32 . . . . 74.42 110.987 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -121.83 135.64 54.91 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.728 0.299 . . . . 71.33 110.621 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.549 HG21 ' HB2' ' A' ' 31' ' ' TYR . 86.9 t -91.94 121.54 42.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 64.45 111.947 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' HB2' ' NE1' ' A' ' 79' ' ' TRP . 87.3 mtt180 -137.04 -167.72 2.14 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.599 . . . . 74.22 110.625 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.5 t -82.66 171.56 13.89 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.028 0.442 . . . . 61.21 111.531 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 77' ' ' CYS . . . -129.48 -68.03 0.74 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.178 -0.464 . . . . 44.24 111.208 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -107.16 -72.49 0.72 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.957 0.408 . . . . 74.01 111.287 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -134.67 -71.13 0.49 Allowed 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.125 0.488 . . . . 45.21 110.528 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.36 -9.04 45.45 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-N 115.96 -0.564 . . . . 51.15 112.056 175.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.7 p -76.87 128.73 35.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.84 0.352 . . . . 72.43 111.245 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -94.99 161.5 14.11 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.009 0.433 . . . . 73.11 111.502 177.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.559 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 43.0 t -144.18 149.42 36.42 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.048 0.452 . . . . 73.51 111.705 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -85.81 126.99 34.44 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.662 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.452 ' NE1' ' HB2' ' A' ' 69' ' ' ARG . 38.6 m95 -101.82 125.1 48.42 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.961 0.41 . . . . 62.44 111.127 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.46 105.8 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.167 -0.47 . . . . 72.45 111.533 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.3 mm? -85.96 101.07 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.143 0.497 . . . . 72.3 110.063 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 58' ' ' LYS . 39.5 mtm180 -80.15 152.66 29.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 74.54 111.734 -176.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.1 p -61.04 -19.82 61.83 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.382 0.61 . . . . 73.41 110.85 175.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.21 -35.91 62.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.207 -0.906 . . . . 73.14 111.788 172.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.84 -24.03 10.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 62.31 112.794 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -92.71 163.36 13.78 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.415 0.626 . . . . 63.22 111.981 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.559 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.9 pt-20 -118.18 158.63 24.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.905 -0.588 . . . . 74.41 112.298 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.544 ' HG2' ' HD2' ' A' ' 58' ' ' LYS . 9.0 tp10 -139.9 162.96 33.93 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.019 -0.537 . . . . 72.54 110.711 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -130.8 130.69 44.0 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.755 0.312 . . . . 74.24 111.747 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -130.39 126.38 36.91 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.181 0.515 . . . . 75.12 111.713 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -74.41 92.07 2.29 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.95 0.405 . . . . 63.51 111.292 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -45.34 -40.57 7.99 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.838 1.051 . . . . 71.54 113.838 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.523 ' HA ' HD22 ' A' ' 21' ' ' LEU . 62.9 pttt -78.46 -16.69 57.28 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.572 0.953 . . . . 75.24 113.572 -172.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -87.05 67.82 9.85 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.281 0.562 . . . . 74.44 111.343 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 29.5 p -164.32 29.0 0.07 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.815 -0.629 . . . . 73.11 111.336 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG22 HD11 ' A' ' 21' ' ' LEU . 38.8 t -83.01 -38.78 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 121.698 0.761 . . . . 75.31 110.253 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tt -137.95 -67.53 0.48 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.053 -0.976 . . . . 73.13 108.803 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -144.65 171.37 14.48 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.846 -0.616 . . . . 75.32 111.163 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -56.15 139.48 47.29 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.177 -0.465 . . . . 73.12 111.879 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -136.71 136.0 38.63 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.824 0.345 . . . . 73.03 110.904 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -81.95 168.18 18.15 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.321 0.581 . . . . 73.41 112.321 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -92.57 147.79 22.6 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.89 -0.596 . . . . 72.12 111.503 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -123.96 127.35 47.81 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.903 0.382 . . . . 53.42 111.412 176.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--O 1.252 1.218 0 CA-C-O 118.501 -0.762 . . . . 75.34 111.301 179.295 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtm . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.628 0.251 . . . . 52.12 111.169 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.56 99.19 1.24 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.054 0.454 . . . . 74.43 111.159 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -138.9 169.49 17.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.071 0.463 . . . . 70.13 111.518 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.06 68.89 7.52 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.24 0.543 . . . . 64.13 110.082 173.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 51.8 mt-30 -83.37 145.86 49.38 Favored Pre-proline 0 N--CA 1.469 0.494 0 CA-C-N 115.826 -0.625 . . . . 72.04 112.471 -173.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 5' ' ' GLN . 8.0 Cg_exo -72.96 133.39 19.77 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.778 2.318 . . . . 72.5 111.554 172.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.0 mp -70.84 91.53 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.064 0.459 . . . . 72.1 110.917 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -95.9 113.5 25.13 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.792 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -129.67 120.4 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.528 -0.306 . . . . 63.32 111.446 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.6 31.28 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.838 0.681 . . . . 54.22 112.838 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.95 27.18 29.46 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.15 -0.548 . . . . 75.03 113.084 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -132.76 114.07 13.69 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.591 -0.359 . . . . 72.43 110.328 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 124.28 41.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.246 0.546 . . . . 50.4 111.855 -176.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.52 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 96.7 m-85 -115.97 149.63 38.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.97 0.414 . . . . 74.45 111.714 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.13 -25.12 37.16 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.672 0.619 . . . . 75.52 112.672 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 10.1 tpp180 -145.18 153.41 41.34 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.692 -0.231 . . . . 72.33 110.798 -176.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 22.0 tptm -56.78 -44.92 82.32 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.876 -0.515 . . . . 74.52 111.058 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -23.37 67.3 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.301 -0.409 . . . . 60.03 111.944 175.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 25.8 t0 -69.1 -42.89 75.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.104 0.478 . . . . 73.45 110.541 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.89 95.4 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.147 0.499 . . . . 71.23 111.064 174.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 84.6 mt -60.8 -41.97 96.67 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.969 175.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.14 -47.01 86.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.222 -0.445 . . . . 65.01 111.44 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -55.7 -49.76 72.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.875 0.369 . . . . 73.43 111.195 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mtm -60.37 -37.87 82.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.442 -0.344 . . . . 73.21 111.39 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.38 -38.67 91.83 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.803 0.335 . . . . 75.12 111.241 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 22' ' ' ALA . 80.3 t -57.9 -59.73 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.451 -0.34 . . . . 70.34 111.198 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.477 ' O ' ' HD1' ' A' ' 31' ' ' TYR . 27.0 ptt? -63.84 -31.15 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.857 -0.337 . . . . 65.21 111.24 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 HG13 ' A' ' 68' ' ' VAL . 52.4 tp -57.36 -44.34 84.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.105 0.479 . . . . 72.41 110.815 174.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.545 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -77.66 -16.6 58.41 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.131 -0.486 . . . . 75.32 111.508 177.667 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -70.15 -43.43 70.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.458 -0.337 . . . . 61.32 110.207 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.604 ' HB3' ' HB2' ' A' ' 35' ' ' ASP . 81.6 m-85 -89.03 157.97 18.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.963 0.411 . . . . 75.03 111.064 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.576 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 7.3 mpt_? -97.6 158.37 33.16 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-N 116.659 -0.246 . . . . 74.21 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.39 79.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.741 2.294 . . . . 65.24 112.659 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.09 -8.32 0.92 Allowed Glycine 0 CA--C 1.529 0.957 0 CA-C-N 114.472 -1.24 . . . . 74.0 113.062 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 18.4 m-20 -82.16 139.82 34.11 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.386 0.613 . . . . 73.54 111.87 -178.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.3 mm -80.36 131.46 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.063 -0.517 . . . . 72.01 110.972 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.42 128.39 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 120.749 0.309 . . . . 72.32 110.957 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -63.53 169.78 3.62 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.59 0.589 . . . . 73.14 112.59 -175.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.0 m -53.99 -61.39 2.34 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.841 0.682 . . . . 63.14 112.841 -175.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.09 -49.4 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.027 0.442 . . . . 72.4 111.533 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.89 -44.91 70.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.87 -0.605 . . . . 74.41 111.343 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.533 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -67.22 -44.71 85.52 Favored Glycine 0 CA--C 1.523 0.55 0 CA-C-N 115.9 -0.591 . . . . 75.42 112.881 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.26 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.112 0.482 . . . . 41.03 111.267 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.32 -51.16 70.71 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.586 -0.734 . . . . 74.32 110.955 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.06 -36.99 78.54 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.009 -0.542 . . . . 63.31 112.062 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 42' ' ' GLY . 66.3 t -58.97 -50.69 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 120.856 0.36 . . . . 72.32 111.391 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.45 -39.97 92.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.953 0.406 . . . . 74.23 110.989 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -35.7 74.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.24 -0.436 . . . . 63.11 111.216 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.27 -44.51 71.75 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.15 -0.477 . . . . 70.52 111.25 177.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HE3' HG12 ' A' ' 46' ' ' VAL . 98.9 mttt -57.41 -24.01 52.88 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.219 0.452 . . . . 72.31 112.219 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -95.15 23.89 5.37 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.262 0.467 . . . . 74.43 112.262 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -100.14 149.82 36.35 Favored Pre-proline 0 N--CA 1.469 0.524 0 CA-C-N 116.59 -0.277 . . . . 64.33 110.959 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.87 -48.7 19.83 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.629 2.22 . . . . 53.35 112.6 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -104.33 66.67 0.82 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.361 0.601 . . . . 63.51 110.817 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.43 -37.08 25.97 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.953 175.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.1 t -50.64 -47.08 58.59 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.897 0.703 . . . . 75.0 112.897 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.6 t -79.54 -22.16 44.24 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.989 0.366 . . . . 62.21 111.989 -175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -86.36 -23.53 26.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.835 0.35 . . . . 75.42 111.34 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.4 mt -98.6 -69.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.904 0.383 . . . . 73.03 111.278 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.49 -114.69 4.53 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 121.255 -0.497 . . . . 73.33 112.638 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 49.1 Cg_endo -68.44 -35.71 17.25 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.445 2.097 . . . . 75.23 113.079 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.68 165.73 18.05 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.124 -0.56 . . . . 70.24 113.086 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 129.56 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 122.526 -0.396 . . . . 63.31 111.308 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -83.47 -52.21 6.7 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.356 -0.384 . . . . 72.31 110.09 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -175.13 178.3 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.918 0.389 . . . . 73.41 110.957 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.77 143.61 46.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.858 0.361 . . . . 72.15 110.718 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -127.81 127.68 43.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.822 0.344 . . . . 61.53 111.28 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 31' ' ' TYR . 88.0 t -76.3 102.31 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.298 0.57 . . . . 62.35 109.74 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.672 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 33.3 ttt180 -136.76 156.55 48.36 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.878 -0.601 . . . . 52.14 111.347 -167.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -63.1 157.44 22.22 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.857 0.688 . . . . 72.22 112.857 -174.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.405 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . . . -135.12 -56.72 0.81 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.795 -0.639 . . . . 54.22 111.245 177.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -117.72 -167.82 1.4 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.173 -0.467 . . . . 51.21 110.742 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -64.86 88.29 0.06 Allowed 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.065 0.46 . . . . 72.45 111.187 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.66 32.19 34.3 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.275 -0.488 . . . . 72.14 113.781 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.0 p -122.41 146.59 47.21 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 117.404 0.602 . . . . 33.52 111.679 178.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -103.89 148.91 25.6 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.049 -0.523 . . . . 73.53 111.705 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.3 m -148.55 159.27 44.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.937 0.399 . . . . 74.3 111.162 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -87.36 115.3 24.68 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.916 0.389 . . . . 72.33 111.17 176.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.672 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 25.5 m95 -95.43 132.47 40.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.016 0.436 . . . . 73.03 111.49 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.08 112.08 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 116.042 -0.527 . . . . 71.3 111.403 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -88.19 124.38 33.77 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.58 -0.526 . . . . 54.11 109.58 172.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -106.42 146.09 30.94 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.056 0.455 . . . . 74.4 112.099 -174.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -66.21 -19.69 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.361 0.504 . . . . 72.15 112.361 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.563 ' HB3' ' HG3' ' A' ' 61' ' ' PRO . 3.1 p30 -75.72 -25.27 56.48 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.272 -0.268 . . . . 73.51 111.706 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.34 -9.19 8.33 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 121.062 -0.589 . . . . 64.54 113.959 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 m -89.55 152.57 21.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 117.367 0.584 . . . . 65.23 111.862 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.12 141.29 40.18 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.022 0.439 . . . . 74.42 111.545 175.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -145.61 -178.41 6.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.018 0.437 . . . . 73.43 111.216 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.405 ' NH1' ' HA ' ' A' ' 71' ' ' ALA . 20.9 ptt180 -129.4 133.41 47.35 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.318 -0.401 . . . . 75.1 110.686 173.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -107.42 125.07 50.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.174 0.511 . . . . 73.31 111.73 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.8 m -74.37 76.7 1.88 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.071 0.462 . . . . 72.13 111.38 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -55.16 -36.38 65.77 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.046 0.45 . . . . 75.2 111.949 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -65.92 -12.44 54.7 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.693 0.627 . . . . 64.1 112.693 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -109.71 22.47 15.65 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.393 0.616 . . . . 74.15 111.336 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.5 t -106.7 44.53 1.05 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.017 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.58 -90.28 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 O-C-N 121.954 -0.466 . . . . 61.44 112.229 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.7 mt -155.49 156.18 34.77 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.822 0.344 . . . . 74.22 111.883 -174.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -89.71 138.38 31.53 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.929 0.395 . . . . 71.41 111.196 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -168.62 134.78 1.83 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.245 -0.434 . . . . 70.14 110.736 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -60.35 110.04 1.15 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.014 0.435 . . . . 63.32 111.436 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -54.99 161.04 1.78 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.795 0.665 . . . . 64.4 112.795 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -52.49 153.67 2.91 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.775 -0.648 . . . . 71.43 111.806 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -68.06 168.8 11.29 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.788 -0.187 . . . . 73.4 110.505 172.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.0 m170 . . . . . 0 C--O 1.254 1.336 0 N-CA-C 113.036 0.754 . . . . 73.31 113.036 -173.598 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 120.64 0.257 . . . . 64.24 111.467 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.74 -24.66 35.95 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.306 0.574 . . . . 72.53 110.896 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -95.85 178.37 5.46 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.975 -0.557 . . . . 71.24 111.073 175.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.02 136.2 38.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 120.808 0.337 . . . . 62.12 111.027 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -71.39 155.92 92.22 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 111.864 0.32 . . . . 70.55 111.864 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -53.02 146.49 37.32 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.671 2.247 . . . . 65.01 112.254 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.4 mp -71.99 93.63 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 120.986 0.422 . . . . 74.42 110.826 -175.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -105.76 109.13 20.98 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.002 0.429 . . . . 64.43 110.656 179.32 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.11 116.76 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 111.991 0.367 . . . . 73.12 111.991 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 65.06 23.2 12.44 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.054 0.761 . . . . 53.24 113.054 172.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.49 27.88 9.49 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.228 -0.511 . . . . 74.25 112.501 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 82.6 m-70 -137.64 106.04 5.8 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.418 0.287 . . . . 71.24 110.851 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -89.0 134.12 34.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.092 0.472 . . . . 72.41 111.772 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 94.4 m-85 -124.99 143.03 51.11 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.006 0.431 . . . . 72.3 111.365 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.95 -40.13 72.18 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.579 0.585 . . . . 74.31 112.579 -175.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.17 166.46 23.34 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.115 -0.366 . . . . 74.33 111.323 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HG2' HG13 ' A' ' 96' ' ' VAL . 43.4 tptt -59.15 -46.46 88.31 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.996 0.427 . . . . 72.12 111.681 -175.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.2 -19.52 65.4 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.307 -0.406 . . . . 75.41 111.84 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 44.8 t0 -66.32 -41.4 89.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.206 0.527 . . . . 72.14 110.613 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.75 60.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.927 -0.579 . . . . 71.34 111.42 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.29 -36.15 81.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.373 -0.376 . . . . 62.1 111.358 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -58.2 -51.96 67.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.399 -0.364 . . . . 53.45 110.425 173.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -50.37 -47.85 55.97 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.986 -0.552 . . . . 61.33 111.408 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 62.9 mtt -58.29 -51.39 69.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.12 0.486 . . . . 51.44 111.313 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -64.89 -35.58 81.61 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.179 -0.464 . . . . 61.01 111.808 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 22' ' ' ALA . 70.1 t -66.44 -53.28 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 111.636 0.235 . . . . 72.53 111.636 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -65.66 -28.19 68.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 120.916 -0.313 . . . . 73.22 111.118 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -58.28 -53.35 59.24 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.078 0.466 . . . . 73.42 111.137 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -68.66 -9.51 50.54 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.684 0.624 . . . . 71.24 112.684 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 4.0 tmt_? -68.53 -36.33 78.71 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.162 0.506 . . . . 73.21 109.94 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' HB2' HG21 ' A' ' 68' ' ' VAL . 56.0 m-85 -93.71 166.41 12.23 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.911 -0.586 . . . . 70.35 110.678 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.559 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 2.7 mpt_? -103.05 159.35 29.56 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 109.681 -0.488 . . . . 71.15 109.681 174.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -63.14 23.24 0.05 OUTLIER 'Trans proline' 0 CA--C 1.553 1.437 0 C-N-CA 122.974 2.449 . . . . 72.22 115.004 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.99 11.35 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 122.054 -0.403 . . . . 62.24 112.691 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -105.85 161.28 14.57 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.581 0.705 . . . . 75.43 112.458 -177.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mm -97.85 141.39 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 115.493 -0.776 . . . . 72.12 110.647 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.74 140.4 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.517 -0.31 . . . . 71.04 111.278 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -62.39 166.12 5.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.083 0.468 . . . . 64.41 112.181 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -59.78 -52.94 63.3 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.175 -0.466 . . . . 75.21 112.255 -176.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.87 -53.24 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 121.172 0.51 . . . . 74.42 111.604 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.5 -45.64 69.74 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.92 -0.582 . . . . 72.14 111.18 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -64.14 -41.81 98.27 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 116.077 -0.511 . . . . 74.42 112.756 177.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.67 76.05 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.008 0.432 . . . . 63.24 111.287 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.62 -46.47 90.16 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.896 -0.593 . . . . 62.32 110.765 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.33 -41.72 97.49 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.041 -0.527 . . . . 73.1 111.896 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG12 ' HE3' ' A' ' 50' ' ' LYS . 64.9 t -57.52 -52.22 59.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-O 120.969 0.414 . . . . 72.43 111.105 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -65.69 -34.6 78.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.838 0.351 . . . . 74.12 111.265 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.8 97.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.194 0.521 . . . . 72.11 110.875 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 80' ' ' ILE . 67.9 tp -63.39 -43.39 97.73 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.954 -0.567 . . . . 73.31 110.654 174.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HE3' HG12 ' A' ' 46' ' ' VAL . 99.5 mttt -61.19 -11.85 10.7 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.657 0.614 . . . . 73.45 112.657 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -77.04 0.42 21.39 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.976 0.417 . . . . 61.31 110.975 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.613 ' HE2' ' HG ' ' A' ' 95' ' ' CYS . 73.6 m-70 -115.73 133.84 22.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.337 174.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.39 -13.15 31.08 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.235 1.957 . . . . 74.35 112.741 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.06 -2.79 58.89 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.139 -0.482 . . . . 72.32 111.86 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.82 -49.78 70.2 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.19 0.441 . . . . 70.11 112.19 -176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 t -47.57 -34.08 7.28 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.587 0.588 . . . . 62.31 112.587 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.4 m -67.09 -44.74 79.25 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.012 0.434 . . . . 72.41 111.212 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 66.4 mttm -82.14 -26.49 33.44 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.167 -0.469 . . . . 65.03 112.12 -176.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.6 mt -83.04 -47.73 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 120.889 0.376 . . . . 63.02 111.426 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.22 -113.38 4.75 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.336 -0.459 . . . . 61.41 113.194 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.14 -26.88 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.473 2.115 . . . . 74.11 112.745 176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.3 164.44 12.35 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.006 -0.616 . . . . 72.31 113.175 -178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.48 118.1 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.953 0.406 . . . . 74.33 111.145 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -68.8 -54.12 17.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.104 0.478 . . . . 73.33 110.544 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -174.54 -173.94 0.79 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.713 -0.676 . . . . 63.1 110.843 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 80' ' ' ILE . 70.4 m-85 -121.84 139.95 52.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.82 0.343 . . . . 62.15 111.178 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -112.26 136.87 51.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.853 0.359 . . . . 73.12 110.876 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 31' ' ' TYR . 93.0 t -87.45 109.21 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.032 -0.358 . . . . 75.01 110.032 175.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 34.3 ttm180 -129.8 150.25 51.19 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.652 0.263 . . . . 63.14 111.025 -176.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.1 p -74.77 142.46 44.29 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.753 0.311 . . . . 40.53 110.834 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -133.03 -69.0 0.57 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.451 0.537 . . . . 63.15 112.451 -175.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -147.61 167.64 24.05 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.579 -0.282 . . . . 75.15 110.561 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 63.29 5.05 1.85 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.705 0.402 . . . . 72.34 111.709 -175.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.3 18.88 73.72 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 120.888 -0.672 . . . . 74.12 112.026 -169.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.5 p -105.6 177.68 4.78 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.245 0.545 . . . . 72.13 111.695 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -96.94 162.07 13.56 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.899 -0.591 . . . . 52.44 111.596 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 71' ' ' ALA . 87.4 m -147.33 149.83 33.58 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.313 -0.403 . . . . 50.22 110.971 176.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -86.03 123.45 31.36 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.905 0.384 . . . . 73.21 111.83 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 53.4 m95 -104.55 128.63 52.57 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.207 0.527 . . . . 64.13 111.507 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.468 HG12 ' CE2' ' A' ' 66' ' ' PHE . 30.4 mt -85.44 103.5 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.74 -0.663 . . . . 71.12 111.376 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.82 111.01 16.88 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.962 -0.461 . . . . 51.33 110.229 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -83.48 149.52 26.58 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.863 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -67.79 -13.68 62.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.653 0.612 . . . . 73.01 112.653 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -78.62 -32.18 47.35 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 122.217 -0.302 . . . . 63.14 111.568 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.22 -8.4 5.08 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 121.099 -0.572 . . . . 70.13 113.699 178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.9 t -90.54 147.86 23.08 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.556 -0.379 . . . . 64.4 111.851 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -107.18 109.35 21.15 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.485 0.659 . . . . 71.51 111.495 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' A' ' 58' ' ' LYS . 10.0 tp10 -95.04 170.41 9.43 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.341 -0.845 . . . . 74.43 110.581 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 13.0 ptm180 -146.41 165.44 29.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.886 -0.509 . . . . 73.31 111.366 173.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -151.23 141.61 22.44 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.055 0.455 . . . . 74.43 111.391 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -84.76 84.02 7.83 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.863 0.363 . . . . 63.53 110.924 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -51.84 -44.13 63.46 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.849 0.357 . . . . 63.51 111.914 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.403 ' H ' ' HG3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -73.81 18.47 0.13 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.122 0.786 . . . . 75.14 113.122 -177.001 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 46.6 mtpt -125.86 14.9 8.02 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.964 0.411 . . . . 74.21 110.974 171.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.613 ' HG ' ' HE2' ' A' ' 52' ' ' HIS . 73.5 m -93.7 28.29 2.39 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.152 0.427 . . . . 61.55 112.152 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 17' ' ' LYS . 61.6 t -88.19 -86.69 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-O 120.716 0.293 . . . . 75.24 111.443 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 62.3 mt -156.79 -160.94 1.02 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.76 0.824 . . . . 75.2 109.127 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.82 116.21 3.93 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.073 0.463 . . . . 54.23 110.423 170.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -76.96 66.42 2.8 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.162 -0.681 . . . . 71.55 109.162 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -73.09 124.25 25.17 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.3 -0.864 . . . . 73.2 112.593 -166.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -141.94 144.69 33.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.919 -0.582 . . . . 73.11 111.234 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -59.72 119.33 7.43 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.866 0.365 . . . . 72.14 111.733 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -81.72 140.8 34.09 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.864 0.364 . . . . 65.11 111.015 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.791 -0.624 . . . . 70.02 110.612 175.539 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 110.282 -0.266 . . . . 72.51 110.282 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.6 143.68 49.86 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.665 0.269 . . . . 71.41 111.61 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.45 28.6 0.2 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.553 0.575 . . . . 64.41 112.553 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.06 175.77 6.16 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 111.742 0.275 . . . . 73.52 111.742 178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' HB3' ' HD2' ' A' ' 6' ' ' PRO . 49.9 mt-30 66.77 165.51 0.12 Allowed Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 122.87 0.468 . . . . 73.32 112.244 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 5' ' ' GLN . 11.0 Cg_endo -55.12 139.5 80.34 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.078 1.852 . . . . 73.53 111.56 171.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 14' ' ' PHE . 2.4 mp -71.0 107.61 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.877 0.37 . . . . 71.34 111.121 -176.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' HIS . 5.3 tm-20 -97.99 124.15 42.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.34 -0.391 . . . . 75.22 111.07 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.4 mt -137.46 109.6 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.403 -0.362 . . . . 75.13 110.584 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.67 30.3 19.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.465 0.543 . . . . 74.25 112.465 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.0 -4.03 65.11 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 121.141 -0.552 . . . . 41.43 113.21 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 66.5 m-70 -95.56 131.47 41.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 122.366 -0.491 . . . . 73.32 110.907 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.56 132.88 53.72 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.348 0.594 . . . . 73.34 111.274 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.558 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 76.2 m-85 -122.41 141.23 51.81 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.189 -0.459 . . . . 70.45 111.604 -178.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.25 79.6 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.271 0.471 . . . . 55.04 112.271 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 166.31 24.64 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.823 0.344 . . . . 73.44 111.55 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.708 ' HE2' ' HA ' ' A' ' 96' ' ' VAL . 47.3 tptt -53.83 -47.31 71.05 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.092 0.472 . . . . 72.13 111.468 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -26.45 68.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.117 -0.492 . . . . 73.13 112.223 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 43.5 t0 -65.89 -36.74 84.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.233 0.54 . . . . 71.21 110.578 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -46.85 52.57 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.107 -0.497 . . . . 55.03 111.495 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.56 -44.7 95.67 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.067 -0.515 . . . . 72.23 111.443 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -61.46 -38.56 87.69 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.27 -0.423 . . . . 64.12 111.553 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.05 -49.57 73.36 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.032 0.444 . . . . 73.21 110.955 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.08 -39.8 93.66 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.12 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -59.6 -44.42 93.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.464 -0.335 . . . . 71.52 111.038 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 22' ' ' ALA . 89.3 t -56.94 -57.67 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 111.726 0.269 . . . . 72.23 111.726 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -65.59 -34.2 77.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.886 -0.326 . . . . 64.52 111.296 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.42 -46.42 80.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.322 0.582 . . . . 63.32 110.611 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.582 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -76.67 -10.48 59.41 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.689 -0.687 . . . . 51.23 111.441 178.795 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -77.65 -41.76 37.18 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 120.891 0.377 . . . . 72.33 110.121 176.284 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' HB2' HG21 ' A' ' 68' ' ' VAL . 97.3 m-85 -80.88 170.07 16.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.105 0.479 . . . . 73.42 111.365 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 6.7 mpt_? -107.76 153.16 41.69 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 116.573 -0.285 . . . . 73.44 110.788 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.87 78.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.651 2.234 . . . . 65.22 112.405 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.35 -17.94 0.16 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 114.785 -1.098 . . . . 45.03 113.45 178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -83.92 157.01 22.09 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.962 0.727 . . . . 54.2 112.962 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.455 HD12 ' ND2' ' A' ' 65' ' ' ASN . 51.0 mm -96.13 134.53 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.214 -0.903 . . . . 75.51 110.266 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.47 139.55 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 112.097 0.406 . . . . 73.43 112.097 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.6 t -56.23 165.03 1.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.537 0.569 . . . . 64.54 112.537 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 84.9 m -58.36 -56.27 24.24 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.488 0.551 . . . . 52.14 112.488 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.4 -48.38 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 120.957 0.408 . . . . 73.34 111.496 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.19 -35.46 80.4 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.174 0.511 . . . . 73.14 111.149 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -65.75 -41.96 95.48 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 116.113 -0.494 . . . . 34.51 112.345 176.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.06 74.6 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.12 0.486 . . . . 62.42 110.896 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.17 -47.7 82.59 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.95 -0.568 . . . . 74.44 110.526 173.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.35 -38.48 91.32 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.085 -0.507 . . . . 74.12 112.046 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 42' ' ' GLY . 98.3 t -55.79 -49.49 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.918 0.39 . . . . 64.11 110.994 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.96 -46.31 82.07 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.801 0.334 . . . . 75.22 111.492 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.478 -0.328 . . . . 75.3 111.477 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.5 tp -78.48 -57.47 3.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.153 -0.476 . . . . 63.12 111.763 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -49.0 -31.06 6.84 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.999 0.74 . . . . 72.51 112.999 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -86.1 20.54 2.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.44 0.533 . . . . 72.23 112.44 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.414 ' CE1' ' HG ' ' A' ' 95' ' ' CYS . 79.1 m-70 -111.9 140.94 23.91 Favored Pre-proline 0 N--CA 1.471 0.596 0 N-CA-C 110.157 -0.312 . . . . 74.43 110.157 170.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.82 -37.17 57.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 121.972 1.782 . . . . 72.13 111.502 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.83 54.15 3.01 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.746 -0.661 . . . . 74.35 111.226 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.51 -40.14 1.8 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.36 0.504 . . . . 74.53 112.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -44.48 -48.58 10.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.544 0.942 . . . . 73.43 113.544 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.1 p -74.31 -26.58 60.26 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.013 0.435 . . . . 74.43 111.556 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -78.16 -30.17 49.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.211 -0.45 . . . . 71.13 111.162 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -79.36 -48.89 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 71.22 111.177 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.71 -128.29 32.05 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 121.021 -0.609 . . . . 51.34 112.786 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.95 -11.33 23.52 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.516 2.144 . . . . 72.33 113.038 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.33 164.4 10.93 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.776 -0.726 . . . . 64.51 113.913 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG11 ' CE2' ' A' ' 66' ' ' PHE . 69.2 t -96.13 124.24 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.835 0.35 . . . . 74.14 111.078 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.546 ' HD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -85.64 -50.79 6.93 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.008 0.432 . . . . 73.24 110.359 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.546 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 3.3 p-10 -162.3 156.48 21.54 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.012 0.434 . . . . 61.22 111.977 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 63' ' ' VAL . 86.3 m-85 -103.62 126.63 50.88 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.454 -0.339 . . . . 70.11 110.752 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -109.1 137.69 46.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.882 0.372 . . . . 75.11 111.332 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 31' ' ' TYR . 97.9 t -87.67 121.07 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.787 0.327 . . . . 73.15 110.585 174.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 79' ' ' TRP . 35.0 ttm180 -135.98 158.15 45.11 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.735 -0.211 . . . . 73.42 110.851 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.8 p -64.98 123.09 18.55 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.715 0.293 . . . . 61.0 111.304 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 77' ' ' CYS . . . -78.32 -78.87 0.13 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.521 0.563 . . . . 62.54 112.521 -175.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -88.99 -75.27 0.44 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.096 0.474 . . . . 63.24 111.009 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -135.35 -78.75 0.44 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.126 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.81 40.73 2.43 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 121.208 -0.52 . . . . 64.31 112.287 174.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.5 p -131.38 174.18 10.33 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.84 0.352 . . . . 65.14 111.085 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -125.38 158.66 33.74 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.097 0.475 . . . . 41.13 112.075 -175.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 41.9 t -153.17 159.95 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.961 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.12 134.94 34.11 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 120.859 0.362 . . . . 73.14 111.204 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.466 ' CD1' ' HB3' ' A' ' 69' ' ' ARG . 35.6 m95 -114.94 125.67 53.89 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.431 0.634 . . . . 75.01 111.908 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.36 99.11 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.43 -0.804 . . . . 71.31 111.515 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 87' ' ' GLU . 4.1 mm? -83.55 101.81 11.71 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.689 -0.486 . . . . 74.23 109.689 172.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 86' ' ' SER . 1.2 mtp85 -78.76 158.11 28.32 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.999 -0.546 . . . . 64.01 112.181 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -67.29 -19.31 65.47 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.897 0.856 . . . . 74.32 109.86 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.71 -20.41 63.46 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.883 -1.053 . . . . 73.44 111.338 170.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.19 -40.88 2.27 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.203 -0.522 . . . . 72.35 112.444 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 26.9 m -66.1 144.51 56.65 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.772 0.32 . . . . 63.53 111.284 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD13 ' A' ' 81' ' ' LEU . 7.7 pt-20 -99.25 159.44 14.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.96 0.41 . . . . 75.05 111.038 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.43 169.72 20.79 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 62.22 110.478 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -143.26 160.22 40.88 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 122.088 -0.383 . . . . 73.12 111.327 177.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -143.35 124.0 14.1 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.207 0.527 . . . . 65.15 111.828 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 m -79.2 76.21 5.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.139 0.495 . . . . 43.44 110.76 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -53.15 -30.82 39.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.579 0.955 . . . . 65.23 113.579 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -72.12 -2.69 19.5 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.634 0.605 . . . . 73.24 112.634 -175.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -106.15 8.52 32.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.882 0.372 . . . . 62.14 111.582 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 95' ' ' CYS . 50.6 t -98.43 39.98 1.21 Allowed 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.002 0.43 . . . . 54.23 111.624 -176.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.708 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 44.6 t -95.14 -95.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 N-CA-C 112.169 0.433 . . . . 75.22 112.169 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.4 mt -164.27 155.74 15.94 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.251 0.62 . . . . 62.23 110.718 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -128.6 -59.84 1.13 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.474 -0.33 . . . . 72.41 111.02 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -54.82 -45.7 74.44 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.45 0.537 . . . . 75.42 112.45 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -64.72 -9.54 20.8 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.11 0.411 . . . . 44.54 112.11 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 53.25 157.53 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.626 1.17 . . . . 73.24 113.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -168.25 77.26 0.14 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.802 -0.635 . . . . 71.54 111.46 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -177.9 163.39 1.79 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.258 -0.428 . . . . 63.02 111.044 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.5 p80 . . . . . 0 C--O 1.254 1.291 0 CA-C-N 116.384 -0.371 . . . . 74.43 110.603 171.713 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 111.859 0.318 . . . . 60.33 111.859 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.42 164.01 28.4 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.889 0.376 . . . . 72.14 111.774 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -71.66 99.48 2.11 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.099 0.476 . . . . 72.13 110.426 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.64 140.58 18.26 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.194 -0.457 . . . . 33.13 110.947 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -112.1 95.26 29.1 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-O 120.86 0.362 . . . . 75.13 111.517 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.25 114.16 1.27 Allowed 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.191 2.594 . . . . 74.01 112.723 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -75.1 96.1 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.187 0.517 . . . . 43.42 110.071 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.4 tt0 -96.0 100.45 12.12 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.115 -0.493 . . . . 54.44 111.339 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -111.45 116.13 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 111.97 0.359 . . . . 62.34 111.97 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.86 31.73 20.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.339 0.496 . . . . 54.02 112.339 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.74 -16.73 58.34 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 121.046 -0.597 . . . . 74.35 113.254 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -87.44 103.82 15.87 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.529 -0.395 . . . . 70.14 110.748 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 5.6 pt-20 -90.88 98.9 12.05 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.137 0.494 . . . . 71.45 112.108 -177.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -91.15 114.38 26.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.385 -0.37 . . . . 74.34 111.017 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.78 5.37 1.52 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.73 0.641 . . . . 72.32 112.73 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -165.04 143.49 6.43 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.783 0.325 . . . . 62.14 111.197 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.633 ' HE3' HD21 ' A' ' 21' ' ' LEU . 53.9 tptt -56.11 -44.31 78.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.762 0.315 . . . . 74.34 111.178 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.39 73.31 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.29 -0.414 . . . . 75.22 111.948 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -66.3 -43.13 87.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.059 0.457 . . . . 72.33 110.332 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.97 90.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.048 -0.524 . . . . 63.13 111.331 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.633 HD21 ' HE3' ' A' ' 17' ' ' LYS . 89.1 mt -59.21 -44.2 92.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.181 -0.463 . . . . 44.53 111.53 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -57.31 -53.77 54.31 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.429 -0.351 . . . . 63.32 111.125 176.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -53.74 -50.08 66.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.845 0.355 . . . . 60.44 111.658 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.518 ' SD ' ' HB2' ' A' ' 92' ' ' TYR . 66.1 mtt -57.04 -46.74 82.19 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.948 0.404 . . . . 71.43 111.141 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -40.26 96.73 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.157 -0.474 . . . . 61.12 110.894 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' ALA . 72.0 t -59.04 -54.14 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 111.748 0.277 . . . . 51.45 111.748 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -70.37 -27.31 64.22 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.896 0.379 . . . . 74.11 111.253 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD12 HG13 ' A' ' 68' ' ' VAL . 54.1 tp -61.63 -41.7 97.85 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.234 0.54 . . . . 72.43 110.617 174.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -85.35 -7.44 58.97 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.959 -0.564 . . . . 75.03 111.896 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -74.6 -49.68 20.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.014 0.435 . . . . 71.33 110.209 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -72.67 140.68 48.07 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.21 0.529 . . . . 72.42 110.89 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -86.77 159.74 51.48 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.021 -0.536 . . . . 74.55 110.649 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.94 -1.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.355 2.703 . . . . 71.14 115.546 -176.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -131.72 17.62 4.94 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.158 -0.544 . . . . 61.23 113.407 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -99.66 129.59 45.81 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.339 0.59 . . . . 63.31 112.027 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.6 mm -81.17 133.85 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.74 -0.664 . . . . 73.12 110.585 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.3 136.4 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.326 -0.397 . . . . 65.34 111.782 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -64.56 171.54 3.2 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.234 -0.439 . . . . 72.54 112.155 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.3 m -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.805 0.336 . . . . 71.34 111.728 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.83 -60.8 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.903 0.383 . . . . 44.12 111.192 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 44' ' ' PHE . 4.8 m-20 -57.95 -36.13 72.11 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.293 0.568 . . . . 55.31 110.971 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -61.78 -48.49 83.68 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-N 115.959 -0.564 . . . . 71.15 112.591 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.54 -40.05 71.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.027 0.442 . . . . 70.33 111.192 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 41' ' ' ASP . 68.2 t80 -54.17 -48.69 70.64 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.988 -0.551 . . . . 64.55 110.748 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.67 -34.98 79.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 111.792 178.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.64 HG12 ' HZ2' ' A' ' 50' ' ' LYS . 60.2 t -62.94 -43.23 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.944 0.402 . . . . 61.45 110.975 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -67.37 -41.89 84.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.063 0.459 . . . . 74.13 110.92 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.09 68.15 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.194 -0.457 . . . . 73.54 111.283 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 tp -79.22 -37.08 38.98 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.279 -0.419 . . . . 64.23 111.359 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.64 ' HZ2' HG12 ' A' ' 46' ' ' VAL . 61.9 mttp -60.89 -21.07 62.95 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.154 0.427 . . . . 70.01 112.154 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -84.35 26.99 0.72 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.01 0.433 . . . . 71.12 111.812 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.574 ' CE1' ' SG ' ' A' ' 95' ' ' CYS . 13.4 m-70 -123.96 145.5 48.12 Favored Pre-proline 0 N--CA 1.47 0.533 0 C-N-CA 122.396 0.278 . . . . 75.25 111.022 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.37 -16.85 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.93 1.754 . . . . 75.51 111.221 171.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 5.2 m-20 -98.36 12.66 34.17 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.342 -0.844 . . . . 63.43 111.385 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.97 -78.8 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.922 0.712 . . . . 51.25 112.922 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -63.19 -23.42 67.42 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.872 0.323 . . . . 45.05 111.872 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.2 t -64.37 -50.84 66.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.112 0.482 . . . . 63.42 111.294 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HD2' ' HG3' ' A' ' 88' ' ' GLU . 33.9 mmtp -71.37 -32.71 68.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 74.13 110.996 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.482 HG23 HG23 ' A' ' 63' ' ' VAL . 90.1 mt -63.92 -41.35 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.025 0.441 . . . . 64.25 110.958 173.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.38 -119.95 18.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.277 -0.487 . . . . 73.02 112.471 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HG3' ' HB2' ' A' ' 84' ' ' ASP . 37.8 Cg_endo -66.36 -46.88 3.64 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.181 1.92 . . . . 73.53 112.02 173.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.48 154.22 10.74 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 115.951 -0.568 . . . . 73.22 112.697 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.482 HG23 HG23 ' A' ' 59' ' ' ILE . 58.6 t -84.65 126.26 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 122.591 -0.358 . . . . 64.52 111.238 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' HD3' HG22 ' A' ' 83' ' ' THR . 27.6 tpt180 -93.8 -49.61 5.76 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.03 0.443 . . . . 73.5 110.422 178.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -164.65 -174.56 3.46 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.12 -0.491 . . . . 75.35 110.964 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.85 150.12 50.46 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.142 -0.481 . . . . 70.03 110.502 175.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -123.56 142.05 51.4 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.868 0.366 . . . . 75.11 111.195 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.509 HG13 HD12 ' A' ' 28' ' ' LEU . 75.2 t -101.83 101.25 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.103 0.477 . . . . 74.5 110.719 175.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' HB3' ' NE1' ' A' ' 79' ' ' TRP . 15.3 ttm180 -126.12 146.55 49.89 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.94 0.4 . . . . 75.24 111.507 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 76' ' ' GLN . 57.7 p -76.77 129.42 36.27 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.331 -0.395 . . . . 61.33 110.597 174.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.36 -71.23 0.75 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.487 0.551 . . . . 55.42 112.487 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' HB2' ' OG1' ' A' ' 75' ' ' THR . 3.5 m-20 -81.78 -166.36 1.19 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.022 0.439 . . . . 44.43 111.256 -175.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -60.06 85.93 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.894 0.378 . . . . 72.52 111.93 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.02 32.3 69.57 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 116.344 -0.389 . . . . 73.3 113.911 176.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 72' ' ' ASP . 69.7 p -129.43 143.6 50.91 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 122.31 -0.523 . . . . 71.21 111.736 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 70' ' ' SER . 46.8 mt-30 -98.98 164.34 12.22 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.969 0.414 . . . . 63.42 111.522 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.521 ' SG ' ' NH2' ' A' ' 89' ' ' ARG . 91.3 m -148.25 152.51 37.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.424 -0.353 . . . . 72.2 111.063 175.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -85.55 113.8 22.08 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.896 0.379 . . . . 72.42 110.573 175.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.494 ' NE1' ' HB3' ' A' ' 69' ' ' ARG . 77.6 m95 -91.42 126.74 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.984 0.421 . . . . 70.53 111.885 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 87' ' ' GLU . 39.9 mt -82.75 103.84 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.966 -0.561 . . . . 73.45 111.057 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.14 100.64 12.8 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.044 0.449 . . . . 74.42 111.273 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -64.07 151.91 41.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.859 174.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.469 HG22 ' HD3' ' A' ' 64' ' ' ARG . 71.6 p -57.2 -33.18 67.23 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.633 0.73 . . . . 55.42 109.88 171.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' HB2' ' HG3' ' A' ' 61' ' ' PRO . 17.6 t70 -56.04 -30.25 61.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.764 -1.107 . . . . 71.31 112.334 173.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.91 -36.44 4.01 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.265 -0.493 . . . . 64.04 113.118 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -62.06 143.67 56.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.938 0.348 . . . . 75.02 111.938 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -119.05 158.42 25.86 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.149 0.5 . . . . 62.44 111.935 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' HG3' ' HD2' ' A' ' 58' ' ' LYS . 0.7 OUTLIER -146.23 139.24 25.68 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.285 -0.416 . . . . 74.3 110.102 178.399 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.521 ' NH2' ' SG ' ' A' ' 77' ' ' CYS . 11.5 ptm180 -106.0 103.82 13.4 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.997 -0.44 . . . . 74.53 112.063 -175.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -91.04 130.6 36.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.187 0.518 . . . . 75.25 111.605 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -82.01 102.29 10.87 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.15 0.5 . . . . 71.41 111.503 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.518 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 12.5 p90 -55.46 -29.52 58.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.795 -0.639 . . . . 71.21 112.648 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -81.95 -28.2 32.86 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.271 0.471 . . . . 64.13 112.271 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.3 -10.81 60.37 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.959 0.409 . . . . 65.04 111.281 174.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.574 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 58.7 m -82.93 61.03 5.74 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.033 0.444 . . . . 70.14 110.93 -176.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.63 HG22 ' HE2' ' A' ' 17' ' ' LYS . 39.1 t -129.16 -87.19 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.204 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 33.0 mt -165.52 158.87 16.18 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.237 1.015 . . . . 72.32 109.147 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -88.7 113.71 24.56 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.095 -0.378 . . . . 71.44 110.633 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -54.3 134.47 45.13 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.945 0.402 . . . . 75.02 112.024 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -53.69 143.35 20.69 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.165 -0.47 . . . . 72.23 112.132 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -87.4 142.33 27.95 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.779 0.659 . . . . 72.45 112.779 -171.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -85.97 19.7 2.5 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.967 -0.561 . . . . 73.11 111.48 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -84.09 97.7 9.47 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.904 0.383 . . . . 73.13 111.324 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.692 -0.671 . . . . 71.14 110.965 177.12 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.567 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.387 0.137 . . . . 72.25 111.226 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.65 82.74 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.503 0.557 . . . . 72.31 112.503 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -128.47 158.08 39.34 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.16 0.505 . . . . 72.32 111.747 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.26 120.01 20.94 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.254 -0.43 . . . . 72.11 110.984 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -140.99 161.49 53.43 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.515 -0.311 . . . . 72.33 111.238 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -49.28 131.85 27.67 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.893 2.395 . . . . 73.14 113.962 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.0 mp -76.11 108.3 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.523 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 1.0 OUTLIER -90.68 121.96 33.04 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.931 0.396 . . . . 55.15 111.284 -178.063 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -133.07 116.59 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 116.471 -0.331 . . . . 64.33 111.152 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.8 27.86 17.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.715 0.635 . . . . 71.11 112.715 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.48 0.5 61.01 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.41 -0.424 . . . . 45.12 113.47 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -114.46 111.5 21.51 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 122.669 -0.313 . . . . 71.23 110.904 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -91.58 136.08 33.39 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.215 0.531 . . . . 70.54 111.184 179.45 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.669 ' HB3' ' HB3' ' A' ' 19' ' ' ASP . 72.5 m-85 -116.72 118.17 31.81 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.162 -0.472 . . . . 72.2 111.042 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.92 -27.07 40.45 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.224 0.824 . . . . 75.31 113.224 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -139.17 154.32 48.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.862 0.363 . . . . 71.02 111.407 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 96' ' ' VAL . 41.4 tptt -49.78 -48.14 50.71 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.029 -0.532 . . . . 74.31 112.114 -178.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.96 67.59 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.92 0.711 . . . . 73.51 112.92 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 25.1 t0 -64.19 -37.34 87.11 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.139 0.495 . . . . 63.31 110.969 -177.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.63 98.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.208 0.528 . . . . 42.14 111.019 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.31 -39.22 93.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.798 -0.637 . . . . 73.31 110.715 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.74 98.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.058 -0.519 . . . . 62.03 111.268 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.0 -52.06 65.54 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.297 -0.41 . . . . 75.24 111.089 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.801 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 75.0 mtm -56.29 -24.34 42.45 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.588 0.588 . . . . 72.22 112.588 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -70.9 -48.58 52.88 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.999 -0.438 . . . . 75.03 110.987 170.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.48 -55.59 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 120.951 0.405 . . . . 72.02 111.331 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.801 ' SD ' ' HA ' ' A' ' 24' ' ' MET . 11.7 ptm -58.79 -36.26 74.14 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.136 -0.484 . . . . 74.34 111.244 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.23 -39.91 82.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.852 0.358 . . . . 64.31 111.665 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.57 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -78.68 -16.4 57.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.151 0.5 . . . . 52.11 110.926 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.62 -38.45 86.98 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.018 -0.537 . . . . 63.25 111.419 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -93.71 161.67 14.24 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.296 0.569 . . . . 72.1 111.8 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 6.2 mpt_? -100.15 163.57 18.04 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 109.323 -0.621 . . . . 71.32 109.323 174.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HD2' ' HB3' ' A' ' 32' ' ' ARG . 39.7 Cg_endo -64.96 20.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.548 1.223 0 C-N-CA 122.611 2.208 . . . . 70.32 114.894 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.96 10.43 2.57 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 121.273 -0.489 . . . . 35.0 113.373 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -96.57 161.95 13.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.563 0.697 . . . . 70.12 112.479 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mm -104.35 132.3 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.652 -0.704 . . . . 75.54 110.32 175.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.442 HG11 HD12 ' A' ' 45' ' ' LEU . 61.6 t -60.14 121.25 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.857 0.361 . . . . 74.43 111.103 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.0 m -62.16 173.27 1.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.213 0.53 . . . . 65.42 112.367 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.1 m -55.95 -55.7 29.55 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.193 0.812 . . . . 62.25 113.193 -173.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.91 -60.14 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.97 0.414 . . . . 71.42 111.749 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.86 -37.09 65.81 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.168 -0.469 . . . . 53.12 111.413 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -63.99 -46.34 91.65 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 121.339 -0.458 . . . . 71.11 112.743 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.71 64.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.108 0.48 . . . . 63.55 111.232 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.44 -51.11 68.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.66 -0.7 . . . . 72.23 110.808 175.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 HD12 HG11 ' A' ' 37' ' ' VAL . 96.4 mt -59.52 -34.03 72.11 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.103 -0.499 . . . . 75.13 111.99 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 42' ' ' GLY . 91.4 t -57.89 -51.94 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.845 0.355 . . . . 65.01 110.932 176.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -66.28 -38.34 87.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.877 0.37 . . . . 74.22 110.943 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . . . -57.57 -39.53 76.95 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.254 0.549 . . . . 70.13 110.887 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.4 tp -69.04 -55.79 9.74 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.088 -0.505 . . . . 70.01 110.925 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -50.75 -36.6 37.38 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.079 0.77 . . . . 75.32 113.079 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 2.0 ptm180 -71.38 1.75 5.85 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.036 0.446 . . . . 70.34 112.146 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -94.04 133.83 26.94 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 122.462 0.305 . . . . 64.21 110.482 172.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -62.62 -12.1 26.73 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.904 2.403 . . . . 63.31 113.914 -175.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -122.08 26.87 8.32 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.168 0.508 . . . . 65.12 111.988 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 59' ' ' ILE . . . -73.51 -51.87 15.53 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.474 -0.33 . . . . 44.11 111.219 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 t -45.07 -45.78 11.19 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.024 0.749 . . . . 74.53 113.024 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.4 t -57.62 -36.13 71.38 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.933 0.397 . . . . 65.22 111.931 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -100.91 5.62 43.36 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.173 0.434 . . . . 75.33 112.173 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' ALA . 69.8 mt -88.55 -46.06 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.79 0.328 . . . . 70.15 110.287 171.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.96 -117.82 10.58 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 114.889 0.716 . . . . 54.2 114.889 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.4 -4.11 14.89 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.086 2.524 . . . . 62.42 113.891 -175.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.07 168.89 12.85 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 120.734 -0.746 . . . . 62.03 113.513 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.564 HG22 HH22 ' A' ' 82' ' ' ARG . 62.8 t -87.81 117.8 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.102 0.408 . . . . 73.3 112.102 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.667 HH11 ' ND2' ' A' ' 65' ' ' ASN . 2.1 tmt_? -79.53 -61.13 2.1 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 109.15 -0.685 . . . . 63.31 109.15 173.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.667 ' ND2' HH11 ' A' ' 64' ' ' ARG . 42.5 p30 -169.98 -173.44 1.56 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.02 0.438 . . . . 70.1 111.221 170.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -119.61 130.83 55.3 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.397 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -106.51 144.75 32.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.063 0.459 . . . . 51.43 111.846 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.52 96.63 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.07 -0.514 . . . . 72.15 109.862 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -104.98 158.1 16.77 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.954 0.407 . . . . 55.1 111.993 -173.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.4 m -56.71 147.89 21.66 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.966 0.728 . . . . 32.21 112.966 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.18 140.75 29.52 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.008 -0.542 . . . . 63.44 111.43 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.53 -10.7 47.58 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.443 0.534 . . . . 72.41 112.443 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -80.0 10.72 3.97 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.274 0.472 . . . . 74.44 112.274 -175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.14 -35.51 3.42 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.065 -0.588 . . . . 71.2 112.481 -176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.3 p -91.48 -162.87 0.96 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.56 0.344 . . . . 54.22 110.642 175.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.03 -171.8 1.97 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 122.212 -0.305 . . . . 75.41 110.764 174.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.7 t -138.62 146.4 41.67 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.739 0.304 . . . . 34.32 111.491 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -84.47 129.53 34.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.842 0.353 . . . . 71.41 111.058 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -114.35 136.03 53.44 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.445 0.64 . . . . 72.41 111.973 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.7 mt -86.53 104.03 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.216 -0.902 . . . . 73.44 111.314 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.84 128.72 35.05 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.033 0.444 . . . . 64.03 111.032 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.564 HH22 HG22 ' A' ' 63' ' ' VAL . 5.9 mmp_? -102.93 144.31 31.38 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.252 -0.431 . . . . 74.14 110.756 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 p -55.96 -33.89 65.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.175 0.512 . . . . 74.01 111.206 177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.25 -59.42 4.97 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.761 -0.654 . . . . 70.22 111.935 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.23 -31.59 1.16 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.097 -0.573 . . . . 74.42 113.127 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.1 m -75.45 112.28 11.61 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.565 -0.374 . . . . 61.21 111.403 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.9 153.85 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.244 0.545 . . . . 63.25 111.745 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -138.11 159.25 42.54 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.857 -0.611 . . . . 65.15 110.516 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -115.35 156.47 25.45 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 122.087 -0.383 . . . . 73.21 111.388 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -141.09 122.63 15.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.198 0.523 . . . . 75.45 111.446 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.8 m -73.66 95.82 2.39 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.303 -0.408 . . . . 65.34 110.736 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -55.75 -27.73 52.26 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.66 0.615 . . . . 73.31 112.66 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -23.15 61.23 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 111.857 0.317 . . . . 74.34 111.857 -178.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 94' ' ' LYS . 62.0 mmtt -88.37 62.51 6.68 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.417 0.627 . . . . 73.34 111.247 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.5 t -143.18 12.61 1.8 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.59 -0.732 . . . . 64.44 110.989 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.813 ' HA ' ' HE2' ' A' ' 17' ' ' LYS . 59.6 t -82.19 -89.98 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 111.994 0.368 . . . . 53.41 111.994 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 73.6 mt -150.22 152.91 35.33 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.0 0.429 . . . . 63.11 111.546 -176.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.59 82.8 1.71 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.868 -0.605 . . . . 71.13 109.784 172.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -99.65 128.3 45.76 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.02 -0.536 . . . . 73.2 111.565 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -77.9 42.82 0.4 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.374 0.607 . . . . 65.42 112.588 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -166.53 101.6 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.167 -0.679 . . . . 72.33 109.167 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -77.83 165.91 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.179 0.807 . . . . 73.32 113.179 -171.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -91.41 179.05 5.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.42 -0.809 . . . . 71.23 110.237 174.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.4 m80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.815 -0.612 . . . . 62.4 111.363 176.548 . . . . . . . . 0 0 . 1 stop_ save_